SCHEMBL16703449

SCHEMBL16703449

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 12/20 0.64
▸ TMPRSS4 Q9NRS4 9/20 0.64
▸ P2RX7 Q99572 8/20 0.64
▸ P2RX4 Q99571 7/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ IKBKB O14920 1/20 0.64
▸ CHUK O15111 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ MYLK Q15746 1/20 0.64
▸ MAP4K5 Q9Y4K4 1/20 0.64
▸ TLR8 Q9NR97 1/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SLC2A1 P11166 1/20 0.51
▸ XPO1 O14980 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29511638 1.00 P2RX1 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1
Potassium Ion SCHEMBL29511655 0.99 P2RX1 (0.62) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL28359926 0.93 P2RX1 (0.61) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL28359764 0.93 P2RX1 (0.61) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL16702757 0.90 P2RX1 (0.67) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL6102085 0.89 P2RX1 (0.65) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL28359923 0.88 P2RX1 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL19862002 0.87 P2RX1 (0.62) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL19862000 0.86 P2RX1 (0.61) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL23789521 0.85 TMPRSS4 (0.60) P2RX1TMPRSS4P2RX7P2RX4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166673-A1 CRYSTALS AEROMICS, INC. (US) 2024-05-23 — — US disclosed
US-11801254-B2 Pharmaceutical compositions and methods of making pharmaceutical compositions comprising 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate AEROMICS, INC. (US) 2023-10-31 — — US disclosed
US-11725018-B2 Crystals AEROMICS, INC. (US) 2023-08-15 — — US disclosed
US-20220204536-A1 CRYSTALS AEROMICS, INC. (US) 2022-06-30 — — US disclosed
CN-110790787-B Water-soluble prodrug, preparation method thereof and application thereof as medicine 广东药科大学 2022-06-14 — — CN disclosed
US-20220143048-A1 NOVEL PRODRUG SALTS AEROMICS, INC. 2022-05-12 — — US disclosed
US-11117909-B2 Crystals AEROMICS, INC. (US) 2021-09-14 — — US disclosed
US-20210275549-A1 NOVEL FORMULATIONS AEROMICS, INC. (US) 2021-09-09 — — US disclosed
US-11071744-B2 Prodrug salts AEROMICS, INC. (US) 2021-07-27 — — US disclosed
CN-112402434-A New formula 埃罗米克斯公司 2021-02-26 — — CN disclosed
EP-3454846-A1 CRYSTALS Aeromics, Inc. (US) 2019-03-20 — — EP disclosed
US-20180169118-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2018-06-21 — — US disclosed
US-9827253-B2 Prodrug salts AEROMICS, INC. (US) 2017-11-28 — — US disclosed
WO-2017197371-A1 CRYSTALS AEROMICS, INC. (US) 2017-11-16 — — WO disclosed
US-20160279155-A1 NOVEL FORMULATIONS AEROMICS, INC. (US) 2016-09-29 — — US disclosed
US-20160264604-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2016-09-15 — — US disclosed
EP-3065729-A2 NOVEL FORMULATIONS Aeromics, Inc. (US) 2016-09-14 — — EP disclosed
EP-3065727-A1 NOVEL PRODRUG SALTS Aeromics, Inc. (US) 2016-09-14 — — EP disclosed
WO-2015069961-A1 NOVEL PRODRUG SALTS AEROMICS, LLC (US) 2015-05-14 — — WO disclosed
WO-2015069956-A2 NOVEL FORMULATIONS AEROMICS, LLC (US) 2015-05-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11801254-B2 Pharmaceutical compositions and methods of making pharmaceutical compositions comprising 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate PLCG2, DCTPP1, PLCG1 P2RX1 790/4885TMPRSS4 1479/4885P2RX7 528/4885
US-20220204536-A1 CRYSTALS MTAP, PLCG2, PLCG1 P2RX1 2559/4885TMPRSS4 2690/4885P2RX7 2777/4885
US-20210275549-A1 NOVEL FORMULATIONS DCPS, PRCP, DCTPP1 P2RX1 1115/4885TMPRSS4 228/4885P2RX7 778/4885
US-20180169118-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 P2RX1 543/4885TMPRSS4 1033/4885P2RX7 442/4885
US-20160264604-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 P2RX1 543/4885TMPRSS4 1033/4885P2RX7 442/4885
US-11725018-B2 Crystals MTAP, PLCG2, PLCG1 P2RX1 2559/4885TMPRSS4 2690/4885P2RX7 2777/4885
US-20160279155-A1 NOVEL FORMULATIONS AQP1, AQP4, AQP3 P2RX1 314/4885TMPRSS4 1948/4885P2RX7 226/4885
US-20220143048-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 P2RX1 543/4885TMPRSS4 1033/4885P2RX7 442/4885
US-20240166673-A1 CRYSTALS MTAP, PLCG2, PLCG1 P2RX1 2559/4885TMPRSS4 2690/4885P2RX7 2777/4885
US-11117909-B2 Crystals MTAP, PLCG2, PLCG1 P2RX1 2559/4885TMPRSS4 2690/4885P2RX7 2777/4885
US-11071744-B2 Prodrug salts AQP4, AQP1, AQP3 P2RX1 556/4885TMPRSS4 1144/4885P2RX7 405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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