SCHEMBL1939907

SCHEMBL1939907

CC(S)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
ANPEP P15144 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
SRD5A2 P31213 2/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL19133292 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDMAPK1
SCHEMBL105270 0.81 RXRA (0.62) TSHRTP53ANPEPALDH1A1SMN1; SMN2
SCHEMBL372015 0.81 TSHR (0.60) TSHRTP53ANPEPALDH1A1SMN1; SMN2
SCHEMBL31192242 0.81 TSHR (0.60) TSHRTP53ANPEPALDH1A1SMN1; SMN2
SCHEMBL20178615 0.81 KDM4E (0.51) TSHRKMT2A
Terephthalic Acid SCHEMBL23071346 0.80 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL28393368 0.80 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL23069370 0.80 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9185162 0.79 RXRA (0.61) TSHRTP53ANPEPALDH1A1SMN1; SMN2
SCHEMBL6911963 0.79 TSHR (0.57) TSHRTP53ANPEPALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
EP-3270903-B1 DISULFIDE-CONTAINING ALKYNE LINKING AGENTS ARROWHEAD PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-3270903-B1 DISULFIDE-CONTAINING ALKYNE LINKING AGENTS ARROWHEAD PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180023084-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-01-25 US disclosed
US-20180023084-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-01-25 US disclosed
EP-3270903-A1 IMPROVED DISULFIDE-CONTAINING ALKYNE LINKING AGENTS Arrowhead Pharmaceuticals, Inc. (US) 2018-01-24 EP disclosed
US-9803201-B2 Disulfide-containing alkyne linking agents Arrowhead Pharmaceuticals, Inc. (US) 2017-10-31 US disclosed
US-9803201-B2 Disulfide-containing alkyne linking agents Arrowhead Pharmaceuticals, Inc. (US) 2017-10-31 US disclosed
WO-2016149313-A1 IMPROVED DISULFIDE-CONTAINING ALKYNE LINKING AGENTS ARROWHEAD RESEARCH CORPORATION (US) 2016-09-22 WO disclosed
US-20160272971-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed
US-20160272971-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
EP-2331561-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM Xenome Ltd (AU) 2011-06-15 EP disclosed
WO-2010025510-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2010-03-11 WO disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 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 (4 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 TSHR 3004/4885TP53 297/4885ANPEP 3506/4885
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 TSHR 893/4885TP53 226/4885ANPEP 1059/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 TSHR 2549/4885TP53 245/4885ANPEP 3458/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TSHR 938/4885TP53 111/4885ANPEP 556/4885

“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.