SCHEMBL20449355

SCHEMBL20449355

COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(CBr)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.51
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PTPRB P23467 1/20 0.36
PTGER1 P34995 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17048645 0.89 SCN9A (0.49) SCN9ACNR1CNR2POLBTP53
SCHEMBL16109346 0.85 SCN9A (0.48) SCN9ACNR1CNR2POLBTP53
SCHEMBL20449150 0.85 SCN9A (0.46) SCN9ACNR1CNR2POLBTP53
SCHEMBL14921517 0.84 SCN9A (0.45) SCN9ACNR1CNR2POLBTP53
SCHEMBL1109044 0.84 SCN9A (0.47) SCN9ACNR1CNR2POLBTP53
SCHEMBL28526642 0.83 SCN9A (0.48) SCN9ATP53TAS2R14MEN1KMT2A
SCHEMBL319485 0.83 SCN9A (0.45) SCN9APOLBTP53TAS2R14ALDH1A1
SCHEMBL325911 0.83 SCN9A (0.46) SCN9ACNR1CNR2POLBTP53
SCHEMBL1095344 0.83 SCN9A (0.46) SCN9APOLBTP53TAS2R14MEN1
SCHEMBL19631763 0.83 SCN9A (0.46) SCN9ACNR1CNR2POLBTP53

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
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 US disclosed
EP-3356360-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-08-08 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 (3 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCN9A 256/4885CNR1 281/4885CNR2 547/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SCN9A 256/4885CNR1 281/4885CNR2 547/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCN9A 256/4885CNR1 281/4885CNR2 547/4885

“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.