SCHEMBL6875181

SCHEMBL6875181

O=C(O)/C(O)=C/C(=O)N(Cc1ccc(Cl)c(Cl)c1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 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
SCHEMBL6875183 1.00 PDPK1 (0.40) PDPK1PTPRCPTPN1ATMNPSR1
SCHEMBL6866010 0.86 L3MBTL1 (0.40) PTPN1KMT2A
SCHEMBL6866013 0.86 L3MBTL1 (0.40) PTPN1KMT2A
SCHEMBL6880573 0.83 TSHR (0.43) PDPK1PTPRCPTPN1ATMPTPRG
SCHEMBL6880571 0.83 TSHR (0.43) PDPK1PTPRCPTPN1ATMPTPRG
SCHEMBL6879373 0.78 PDPK1 (0.34) PDPK1PTPRCPTPN1ATMPPARG
SCHEMBL6416927 0.77 MEN1 (0.40) PDPK1PTPRCPTPN1PTPRGMEN1
SCHEMBL6416924 0.77 MEN1 (0.40) PDPK1PTPRCPTPN1PTPRGMEN1
SCHEMBL6076555 0.73 TSHR (0.45) PDPK1PTPRCPTPN1PTPRGMEN1
SCHEMBL6076559 0.73 TSHR (0.45) PDPK1PTPRCPTPN1PTPRGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
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
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (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 PDPK1 1267/4885PTPRC 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.