SCHEMBL6313264

SCHEMBL6313264

O=Cc1ccc(OCCCC(=O)O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.49
TSHR P16473 1/20 0.47
FDPS P14324 1/20 0.45
CYP2C9 P11712 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 2/20 0.42
PPARA Q07869 2/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL7564490 0.84 RAB9A (0.56) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL2654920 0.83 FDPS (0.44) FDPSCYP2C9RAB9ANPC1NPSR1
SCHEMBL17967830 0.83 PTGDR2 (0.51) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL1931812 0.81 FDPS (0.50) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL1714961 0.81 FDPS (0.50) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL28546854 0.81 TSHR (0.51) FFAR4TSHRRAB9AFFAR1PPARA
SCHEMBL10029448 0.81 TSHR (0.46) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL2559267 0.81 FDPS (0.72) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL22436430 0.81 FDPS (0.46) TSHRFDPSCYP2C9RAB9ANPC1
SCHEMBL10291447 0.80 FDPS (0.53) TSHRFDPSCYP2C9RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900214-B2 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US disclosed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US disclosed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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 (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-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 FFAR4 4795/4885TSHR 4809/4885FDPS 280/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 FFAR4 4798/4885TSHR 4827/4885FDPS 397/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR FFAR4 130/4885TSHR 19/4885FDPS 3194/4885

“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.