SCHEMBL6887103

SCHEMBL6887103

CC(I)OC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.53
CYP19A1 P11511 4/20 0.53
PRKCA P17252 1/20 0.50
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL16622503 1.00 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL19192812 1.00 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16731832 0.84 CYP17A1 (0.55) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL19475250 0.82 CYP17A1 (0.54) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16610643 0.81 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16610640 0.81 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16610727 0.81 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL10532688 0.81 CYP17A1 (0.53) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL27437173 0.79 CYP17A1 (0.51) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16731843 0.78 PRKCA (0.51) CYP17A1CYP19A1PRKCASCN1ASCN2A

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
EP-2857385-B1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO LTD (JP) 2017-08-02 EP disclosed
EP-2857385-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-08 EP disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CYP17A1 1426/4885CYP19A1 3911/4885PRKCA 1336/4885

“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.