SCHEMBL6849019

SCHEMBL6849019

Cc1ccc(S(=O)(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CYP24A1 Q07973 2/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT3 P40763 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL6849012 1.00 PSMD10 (0.37) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5531391 0.99 PSMD10 (0.38) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6852562 0.95 ALDH1A1 (0.38) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6853749 0.95 ALDH1A1 (0.38) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4586834 0.95 ALDH1A1 (0.38) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4588419 0.89 PSMD10 (0.39) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5365715 0.89 CA1 (0.39) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5369470 0.89 CA1 (0.39) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2244715 0.89 PSMD10 (0.39) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5854898 0.89 PSMD10 (0.39) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19

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-6780855-B2 TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-10 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-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS CYP19A1, HSD17B11, NR5A1 PSMD10 1352/4885ALDH1A1 145/4885CYP3A4 67/4885

“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.