SCHEMBL6880573

SCHEMBL6880573

CON(Cc1ccc(Cl)c(Cl)c1)C(=O)C=C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PTPRC P08575 2/20 0.40
PTPN1 P18031 1/20 0.40
USP30 Q70CQ3 1/20 0.39
PDPK1 O15530 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
PTPRG P23470 1/20 0.37
ATM Q13315 1/20 0.37
PYCR1 P32322 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
APEX1 P27695 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6880571 1.00 TSHR (0.43) TSHRPTPRCPTPN1USP30PDPK1
SCHEMBL6076559 0.90 TSHR (0.45) TSHRPTPRCPTPN1USP30PDPK1
SCHEMBL6076555 0.90 TSHR (0.45) TSHRPTPRCPTPN1USP30PDPK1
SCHEMBL6877313 0.89 RPA1 (0.38) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6877310 0.89 RPA1 (0.38) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6880568 0.85 CDK8 (0.41) TSHRPTPRCPTPN1PDPK1SMN1; SMN2
SCHEMBL6880567 0.85 CDK8 (0.41) TSHRPTPRCPTPN1PDPK1SMN1; SMN2
SCHEMBL6876913 0.85 BCL2A1 (0.43)
SCHEMBL6876915 0.85 BCL2A1 (0.43)
SCHEMBL6875183 0.83 PDPK1 (0.40) PTPRCPTPN1PDPK1MEN1KMT2A

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-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 TSHR 4530/4885PTPRC 2082/4885PTPN1 1897/4885

“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.