SCHEMBL6877631

SCHEMBL6877631

CON(Cc1ccccc1F)C(=O)C=C(O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ATM Q13315 1/20 0.42
RIPK1 Q13546 1/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.37
HCAR3 P49019 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
GAA P10253 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
TSPO P30536 1/20 0.36
SLC1A5 Q15758 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
SCHEMBL6877629 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL6077550 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL6077547 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL6882584 0.85 KDM4E (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6882579 0.85 KDM4E (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6870221 0.84 RIPK1 (0.42) ALDH1A1KDM4ERIPK1SLC6A2SLC6A3
SCHEMBL6870223 0.84 RIPK1 (0.42) ALDH1A1KDM4ERIPK1SLC6A2SLC6A3
SCHEMBL6412451 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL6412449 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL6872170 0.81 NPC1 (0.40) L3MBTL1RAB9A

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 ALDH1A1 976/4885KDM4E 1398/4885KMT2A 646/4885

“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.