SCHEMBL6879340

SCHEMBL6879340

CON(Cc1ccc(F)c(F)c1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
HTT P42858 2/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
BMP1 P13497 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HCRTR2 O43614 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
PTPN1 P18031 2/20 0.33
MEP1B Q16820 1/20 0.33
MDM2 Q00987 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL6871727 1.00 RIPK1 (0.41) RIPK1HTTMAOAMAOBBMP1
SCHEMBL6865927 0.90 MMP13 (0.36) RIPK1HTTMAOAMAOBKDM4E
SCHEMBL6077521 0.90 RIPK1 (0.40) RIPK1HTTMAOAMAOBBMP1
SCHEMBL6077524 0.90 RIPK1 (0.40) RIPK1HTTMAOAMAOBBMP1
SCHEMBL6865928 0.90 MMP13 (0.36) RIPK1HTTMAOAMAOBKDM4E
SCHEMBL6882590 0.90 KDM5A (0.35) RIPK1HTTKDM4EMITFALDH1A1
SCHEMBL6882594 0.90 KDM5A (0.35) RIPK1HTTKDM4EMITFALDH1A1
SCHEMBL6877310 0.89 RPA1 (0.38) HTTMAOAMAOBKDM4EMITF
SCHEMBL6879322 0.89 NPSR1 (0.41) RIPK1HTTMAOAMAOBBMP1
SCHEMBL6877313 0.89 RPA1 (0.38) HTTMAOAMAOBKDM4EMITF

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-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US claimed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US claimed
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 RIPK1 1438/4885HTT 3436/4885MAOA 2797/4885

“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.