SCHEMBL2157622

SCHEMBL2157622

Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C)ccc3C)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.45
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2158054 0.92 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAHPGD
SCHEMBL2158176 0.82 ALDH1A1 (0.52) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL2157892 0.80 RORC (0.53) LMNASMN1; SMN2HTT
SCHEMBL2157979 0.78 KDM1A (0.59) ALDH1A1
SCHEMBL2157668 0.78 HSD17B2 (0.49) ALDH1A1GAATSHRLMNASMN1; SMN2
SCHEMBL2158359 0.78 MAPT (0.45) ALDH1A1TSHRHPGDNPSR1HTT
SCHEMBL2157786 0.78 KDM1A (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2157872 0.78 ALPL (0.55) ALDH1A1GAALMNAHPGDSMN1; SMN2
SCHEMBL2158587 0.77 NPSR1 (0.57) ALDH1A1GAATSHRLMNAHPGD
SCHEMBL12464422 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US 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 (1 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ALDH1A1 684/4885GAA 260/4885TSHR 4609/4885

“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.