SCHEMBL2789583

SCHEMBL2789583

CC1(C)CCC(C)(C)c2cc(C(=O)OCCc3ccc(NS(C)(=O)=O)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.49
CYP26B1 Q9NR63 6/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
RARA P10276 4/20 0.45
RARB P10826 4/20 0.45
RARG P13631 4/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13411672 0.92 HPGD (0.50) CYP26A1CYP26B1HPGDRECQLRARA
SCHEMBL13411673 0.89 CYP26A1 (0.45) CYP26A1CYP26B1HPGDRECQLRARA
SCHEMBL13411674 0.89 CYP26A1 (0.45) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13411648 0.86 CYP26A1 (0.55) CYP26A1CYP26B1HPGDRECQLRARA
SCHEMBL13411688 0.85 CYP26A1 (0.54) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13411654 0.84 CYP26A1 (0.53) CYP26A1CYP26B1HPGDRECQLRARA
SCHEMBL13411655 0.83 CYP26A1 (0.52) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13411657 0.83 CYP26A1 (0.52) CYP26A1CYP26B1RARARARBRARG
SCHEMBL2790410 0.83 NPC1 (0.58) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13411666 0.82 RAB9A (0.52) CYP26A1CYP26B1RARARARBRARG

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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US claimed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
EP-2102162-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2009-09-23 EP disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 WO disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 CYP26A1 451/4885CYP26B1 368/4885HPGD 799/4885

“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.