SCHEMBL2158458

SCHEMBL2158458

O=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.55
▸ MAPT P10636 2/20 0.52
▸ PTPN2 P17706 2/20 0.51
▸ PTPN1 P18031 2/20 0.51
▸ PTPN5 P54829 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ ACLY P53396 1/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CCR2 P41597 1/20 0.48
▸ PTGES2 Q9H7Z7 3/20 0.47
▸ HSPD1 P10809 1/20 0.46
▸ HSPE1 P61604 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL2158501 0.82 CNR1 (0.49) PGRMAPTKMT2AALDH1A1LMNA
SCHEMBL2157528 0.82 PFKFB3 (0.52) PGRMAPTKMT2AACLYPTGES2
SCHEMBL2157961 0.82 GLO1 (0.46) PGRMAPTKMT2AACLYALDH1A1
SCHEMBL2158526 0.81 PGR (0.50) PGRMAPTKMT2AALDH1A1LMNA
SCHEMBL7579053 0.80 PGR (0.75) PGRMAPTPTPN2PTPN1PTPN5
SCHEMBL2158700 0.78 ITGA1 (0.56) PGRMAPTKMT2AACLYLMNA
SCHEMBL6625839 0.78 CA2 (0.63) PGRMAPTKMT2AALDH1A1LMNA
SCHEMBL2157586 0.78 UQCRB (0.55) MAPTPTPN5KMT2AALDH1A1LMNA
SCHEMBL2158422 0.78 ERAP1 (0.55) PGRMAPTPTPN2PTPN1PTPN5
SCHEMBL2157783 0.77 KMT2A (0.63) PGRPTPN2PTPN1PTPN5KMT2A

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 PGR 4002/4885MAPT 1458/4885PTPN2 1804/4885

“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.

Send feedback