SCHEMBL18784609

SCHEMBL18784609

CS(=O)(=O)[O-].C[n+]1c(C(F)(F)F)n(-c2ccccc2)c2ccccc21

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGS2 P35354 7/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
Trifluoromethanesulfonic Acid SCHEMBL18784469 0.93 LMNA (0.38) LMNAKMT2AMAPTPKMMAPK1
SCHEMBL18784600 0.91 LMNA (0.49) LMNAKMT2AMAPTPKMMAPK1
Hydrochloric Acid SCHEMBL18784552 0.89 ERAP1 (0.38) LMNAKMT2AMAPTPKMMAPK1
Fluoride Ion SCHEMBL18784527 0.89 KDM4E (0.36) LMNAKMT2AMAPTPKMMAPK1
Bromide SCHEMBL18784421 0.89 ATM (0.36) LMNAKMT2AMAPTPKMMAPK1
Iodide SCHEMBL18784510 0.89 PTPN1 (0.38) LMNAKMT2AMAPTPKMMAPK1
SCHEMBL18784567 0.86 ACHE (0.38) LMNAKMT2AMAPTPKMMAPK1
SCHEMBL18784549 0.82 LMNA (0.46) LMNAKMT2AMAPTPKMMAPK1
SCHEMBL18784614 0.78 LMNA (0.38) LMNAKMT2APKMMAPK1KDM4E
SCHEMBL18784580 0.78 LMNA (0.44) LMNAKMT2ANPSR1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885KMT2A 1841/4885MAPT 4841/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885KMT2A 1841/4885MAPT 4841/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885KMT2A 1841/4885MAPT 4841/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885KMT2A 1841/4885MAPT 4841/4885

“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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