SCHEMBL2830820

SCHEMBL2830820

NCNc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
SRD5A2 P31213 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MITF O75030 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
SCHEMBL455642 0.83 FNTA (0.49) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL20882094 0.82 TSHR (0.57) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL25719356 0.80 TSHR (0.55) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL31555876 0.79 FNTA (0.49) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL11748691 0.78 PRSS1 (0.57) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL455156 0.78 HCAR3 (0.55) TSHRTP53FNTAFNTBSRD5A2
SCHEMBL400499 0.78 TP53 (0.52) TSHRTP53FNTAFNTBSRD5A2
Terephthalic Acid SCHEMBL10455009 0.78 TSHR (0.75) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL11666857 0.77 PRSS1 (0.54) FNTAFNTBCA1CA2
SCHEMBL1663499 0.77 TSHR (0.50) TSHRTP53FNTAFNTBSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO disclosed
US-4520052-A IMMERSION IN ALKALINE SOLUTION CONTAINING A CUPRIC SALT, A COMPLEXING AGENT AND A REDUCING AGENT TELEFONAKTIEBOLAGET L M ERICSSON (SE) 1985-05-28 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 (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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 TSHR 1581/4885TP53 710/4885FNTA 1816/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 TSHR 1590/4885TP53 729/4885FNTA 1847/4885

“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.