SCHEMBL21963468

SCHEMBL21963468

COC(=O)[C@H](C(C)C)N(C)CCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ GLS O94925 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NCOR2 Q9Y618 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
SCHEMBL16197807 0.90 CYP17A1 (0.46) CYP17A1DRD2HRH3ADAMTS4NAMPT
SCHEMBL19393982 0.90 CYP17A1 (0.46) CYP17A1DRD2HRH3ADAMTS4NAMPT
SCHEMBL16202118 0.87 MAPT (0.44) CYP17A1DRD2ADAMTS4NAMPTPPARA
SCHEMBL19393993 0.87 MAPT (0.44) CYP17A1DRD2ADAMTS4NAMPTPPARA
SCHEMBL18522844 0.87 NPC1 (0.46) CYP17A1DRD2HRH3ADAMTS4PPARG
SCHEMBL21444833 0.83 PPARG (0.45) CYP17A1DRD2HRH3ADAMTS4NAMPT
SCHEMBL16204648 0.78 AURKA (0.41) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL20784539 0.75 CYP17A1 (0.54) CYP17A1DRD2ADAMTS4NAMPTPPARG
SCHEMBL5106837 0.75 CYP17A1 (0.57) CYP17A1DRD2NAMPTPPARGPPARA
SCHEMBL6889066 0.74 PTPRB (0.55) CYP17A1DRD2NAMPTPPARGPPARA

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-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2021-04-15 — — US disclosed
US-10633448-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2020-04-28 — — 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 (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-10633448-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 CYP17A1 1069/4885DRD2 3040/4885HRH3 3344/4885
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR CYP17A1 762/4885DRD2 1866/4885HRH3 404/4885

“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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