SCHEMBL16503511

SCHEMBL16503511

COC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1cc(C)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 11/20 0.37
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL13190171 0.92 CYP26A1 (0.37) CYP26A1POLBGAANPSR1KMT2A
SCHEMBL13190170 0.90 CNR1 (0.37) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL6049430 0.75 KCNN4 (0.42) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16503515 0.74 CYP26A1 (0.47) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11914197 0.66 ALDH1A1 (0.46) CYP3A4PTPN1KMT2AKDM4EMAPT
SCHEMBL16284309 0.64 PTGS2 (0.42) CYP1A2CYP2C9CYP2C19KMT2AKDM4E
SCHEMBL17694473 0.64 AKR1C3 (0.54) CYP1A2CYP2C19KMT2AKDM4E
SCHEMBL17694465 0.64 AKR1C3 (0.54) CYP1A2CYP2C19KMT2AKDM4E
SCHEMBL15695556 0.64 PTGS2 (0.42) CYP1A2CYP2C9CYP2C19KMT2AKDM4E
SCHEMBL17694468 0.64 AKR1C3 (0.54) CYP1A2CYP2C19KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 — — US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 — — 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 CYP26A1 634/4885CYP3A4 873/4885CYP1A2 1628/4885

“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.

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