SCHEMBL4492579

SCHEMBL4492579

CC(=O)NCCc1c(C(C2=C(O)C(C)(c3ccccc3)OC2=O)c2ccccc2)[nH]c2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.48
MTNR1B P49286 12/20 0.48
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOTUM Q6P988 1/20 0.36
EGFR P00533 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4492576 0.87 MPO (0.33) MTNR1AMTNR1BCYP19A1MEN1CYP3A4
SCHEMBL4492145 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRKDM4E
SCHEMBL4510087 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRKDM4E
SCHEMBL4492136 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRKDM4E
SCHEMBL4493625 0.80 MTNR1A (0.48) MTNR1AMTNR1BCYP19A1MEN1CYP1A2
SCHEMBL1379141 0.79 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1MEN1CYP1A2
SCHEMBL1377170 0.78 MTNR1A (0.46) MTNR1AMTNR1BCYP19A1MEN1CYP1A2
SCHEMBL1378443 0.78 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1MEN1CYP1A2
SCHEMBL4511391 0.77 MTNR1A (0.45) MTNR1AMTNR1BCYP19A1MEN1CYP1A2
SCHEMBL4493732 0.77 OPRM1 (0.40) MEN1HPGDKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US claimed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US claimed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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 (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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MTNR1A 454/4885MTNR1B 756/4885CYP19A1 1030/4885

“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.