SCHEMBL4957484

SCHEMBL4957484

O=C(O)c1ccc(-c2csc(=NC(=O)c3ccccc3)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RHEB Q15382 2/20 0.32
ALOX5 P09917 2/20 0.31
PTGS2 P35354 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCHR1 Q99705 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL4959254 0.92 RAB9A (0.36) RAB9AHSD17B10SMN1; SMN2MAPTTHRB
SCHEMBL4954856 0.84 MCHR1 (0.33) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL4957472 0.82 PTPN1 (0.44) RAB9AHSD17B10SMN1; SMN2MAPTTHRB
SCHEMBL4957490 0.82 PTPN1 (0.44) RAB9AHSD17B10SMN1; SMN2MAPTTHRB
SCHEMBL4898669 0.77 ALDH1A1 (0.39) TSHRALDH1A1RHEBMCHR1
SCHEMBL4895489 0.77 ALDH1A1 (0.39) TSHRALDH1A1RHEBMCHR1
SCHEMBL4898519 0.77 ALDH1A1 (0.34) SMN1; SMN2MAPTALDH1A1RHEBKDM4E
SCHEMBL4901306 0.76 ALDH1A1 (0.39) SMN1; SMN2MAPTTHRBPOLBTSHR
SCHEMBL4891795 0.76 ALDH1A1 (0.34) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL4959253 0.76 PTPN1 (0.42) RAB9AHSD17B10SMN1; SMN2MAPTPOLB

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 9 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
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP claimed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US claimed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO claimed
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP disclosed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US disclosed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO 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 (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 2890/4885HSD17B10 3206/4885SMN1; SMN2 4199/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 RAB9A 2890/4885HSD17B10 3206/4885SMN1; SMN2 4199/4885

“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.