SCHEMBL4956441

SCHEMBL4956441

CS(=O)(=O)c1ccc(-c2csc(N(CCCC(=O)O)Cc3ccc(CP(=O)(OF)OF)c(Br)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GCGR P47871 8/20 0.34
GIPR P48546 6/20 0.34
PTPN1 P18031 3/20 0.34
DVL1 O14640 1/20 0.34
PTPN2 P17706 1/20 0.33
F2R P25116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4959762 0.88 RAB9A (0.39) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4954893 0.85 RAB9A (0.40) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4956438 0.83 PTPN1 (0.48) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4957254 0.76 KDM4E (0.38) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4955541 0.76 PTPRB (0.45) RAB9ANPC1PTPN1PTPN2KDM4E
SCHEMBL4956610 0.75 PTPRB (0.47) RAB9AKMT2AMEN1GCGRGIPR
SCHEMBL4954863 0.75 PTPN1 (0.46) RAB9AKMT2AMEN1PTPN1PTPN2
SCHEMBL4959046 0.74 GCGR (0.43) GCGRGIPR
SCHEMBL4959280 0.74 GCGR (0.47) GCGRGIPR
SCHEMBL4955550 0.74 PTPN1 (0.45) RAB9ANPC1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US claimed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 RAB9A 2890/4885NPC1 4858/4885KMT2A 1604/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 RAB9A 2890/4885NPC1 4858/4885KMT2A 1604/4885

“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.