SCHEMBL6417830

SCHEMBL6417830

COc1cc(CN(C)C(=O)C=C(O)C(=O)O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6417822 1.00 TAS2R14 (0.45) TAS2R14L3MBTL1ACHEHSP90AA1KDM4E
SCHEMBL6417152 0.85 RIPK1 (0.44) KDM4EALDH1A1HTT
SCHEMBL6417149 0.85 RIPK1 (0.44) KDM4EALDH1A1HTT
SCHEMBL6419509 0.84 TAS2R14 (0.45) TAS2R14L3MBTL1ACHEHSP90AA1KDM4E
SCHEMBL6419506 0.84 TAS2R14 (0.45) TAS2R14L3MBTL1ACHEHSP90AA1KDM4E
SCHEMBL6413065 0.83 MMP13 (0.38) ALDH1A1
SCHEMBL6413062 0.83 MMP13 (0.38) ALDH1A1
SCHEMBL6412037 0.82 CYP1A2 (0.44) KDM4EALDH1A1HTT
SCHEMBL6412551 0.82 USP30 (0.39) L3MBTL1KDM4EALDH1A1HTT
SCHEMBL6412044 0.82 CYP1A2 (0.44) KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 TAS2R14 4638/4885L3MBTL1 826/4885ACHE 2875/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TAS2R14 4710/4885L3MBTL1 649/4885ACHE 4537/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TAS2R14 4710/4885L3MBTL1 649/4885ACHE 4537/4885

“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.