SCHEMBL20139634

SCHEMBL20139634

O=C([O-])C1CN(CC(F)(F)F)C1.[Na+]

nearest known ligand 0.32

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 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 4/20 0.32
▸ CA1 known ✓ P00915 4/20 0.32
▸ CA2 known ✓ P00918 4/20 0.32
▸ ARG1 P05089 1/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ S1PR1 P21453 3/20 0.31

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
SCHEMBL20161465 0.79 S1PR5 (0.40) ARG1S1PR1
SCHEMBL23855102 0.78 SMN1; SMN2 (0.38) ARG1
SCHEMBL20139627 0.73 CASP1 (0.33) CA12CA1CA2CA9S1PR1
Lithium Ion SCHEMBL31694808 0.69 KDM2B (0.32) —
SCHEMBL25340721 0.69 NOTUM (0.43) S1PR1
SCHEMBL20689391 0.69 PDK1 (0.32) ARG1
Trifluoroacetic Acid SCHEMBL31581509 0.68 BCHE (0.38) ARG1
Potassium Ion SCHEMBL29226942 0.68 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL10179730 0.67 SLC6A1 (0.47) —
SCHEMBL10179733 0.67 SLC6A1 (0.47) —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435080-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2025-10-07 — — US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 — — US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 — — US disclosed
CN-110267949-A SGC stimulant 塞科里昂医疗股份有限公司 2019-09-20 — — CN disclosed
EP-3538520-A2 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-09-18 — — EP disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 — — 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 (4 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A CA12 4567/4885CA1 4684/4885CA2 1999/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A CA12 4557/4885CA1 4665/4885CA2 1936/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A CA12 4557/4885CA1 4665/4885CA2 1936/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A CA12 4567/4885CA1 4684/4885CA2 1999/4885

“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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