SCHEMBL5332670

SCHEMBL5332670

COC(=O)CC(O)C=Cc1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.73
HMGCR P04035 4/20 0.73
SIRT6 Q8N6T7 2/20 0.73
ABCC3 O15438 1/20 0.73
ABCB11 O95342 1/20 0.73
PGR P06401 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
RXRA P19793 1/20 0.73
TBXA2R P21731 1/20 0.73
CCKAR P32238 1/20 0.73
ADRA1A P35348 1/20 0.73
PTGS2 P35354 1/20 0.73
NR4A2 P43354 1/20 0.73
PDE4D Q08499 1/20 0.73
SLC10A1 Q14973 1/20 0.73
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69

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
SCHEMBL5332659 1.00 CYP2C9 (0.73) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL5688703 0.93 CYP2C9 (0.69) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL5688708 0.93 CYP2C9 (0.69) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL5685977 0.93 CYP2C9 (0.83) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL557533 0.93 CYP2C9 (0.83) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL5685975 0.93 CYP2C9 (0.83) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL4914699 0.90 HMGCR (0.70) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL4914692 0.90 HMGCR (0.70) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL4914702 0.90 HMGCR (0.70) CYP2C9HMGCRSIRT6ABCC3ABCB11
SCHEMBL6028729 0.90 HMGCR (0.70) CYP2C9HMGCRSIRT6ABCC3ABCB11

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
WO-2007023503-A1 A PROCESS FOR THE PREPARATION OF FLUVASTATIN SODIUM USV LIMITED (IN) 2007-03-01 WO disclosed
US-20040176614-A1 Process for the preparation of indole derivatives and intermediates of the process WOLLEB ANNEMARIE (CH) 2004-09-09 US disclosed
US-6743926-B2 FORMING SUCH AS 5-(3-(4-FLUOROPHENYL)-1-ISOPROPYL-1H-INDOL-2-YL)-3,5-DIHYDROXYPENT-2-ENOIC ACID METHYL ESTER CIBA SPECIALTY CHEMICALS CORPORATION 2004-06-01 US disclosed
US-20030166946-A1 Process for the preparation of indole derivatives and intermediates of the process CIBA SPECIALTY CHEMICALS CORP. 2003-09-04 US disclosed
EP-1284964-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES AND INTERMEDIATES OF THE PROCESS Ciba SC Holding AG (CH) 2003-02-26 EP disclosed
WO-2001092223-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES AND INTERMEDIATES OF THE PROCESS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 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 (2 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-20030166946-A1 Process for the preparation of indole derivatives and intermediates of the process TPH1, IDO1, TDO2 CYP2C9 116/4885HMGCR 606/4885SIRT6 1105/4885
US-20040176614-A1 Process for the preparation of indole derivatives and intermediates of the process TPH1, HTR4, TPH2 CYP2C9 115/4885HMGCR 612/4885SIRT6 1064/4885

“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.