SCHEMBL1115368

SCHEMBL1115368

CC(=O)OC1C[C@@H]2[C@@H](CC[C@]3(C)C(O[SiH2]C(C)(C)C(C)C)CC[C@@H]23)[C@@]2(C)CCC(O[SiH2]C(C)(C)C(C)C)CC12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 3/20 0.34
▸ NFKB2 Q00653 3/20 0.34
▸ RELA Q04206 3/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ P2RY12 Q9H244 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
SCHEMBL1115657 1.00 USP2 (0.38) USP2VDRCYP1A2CYP2C19MEN1
SCHEMBL1115366 1.00 USP2 (0.38) USP2VDRCYP1A2CYP2C19MEN1
SCHEMBL1115711 0.85 GPBAR1 (0.39) MAPT
SCHEMBL1115527 0.76 NPC1L1 (0.43) USP2ALDH1A1MAPTCYP19A1LMNA
SCHEMBL1115367 0.75 CYP2C19 (0.36) USP2VDRCYP2C19MEN1KMT2A
SCHEMBL7296751 0.75 CYP2C19 (0.40) CYP2C19MEN1KMT2AMAPK1TP53
SCHEMBL1115659 0.75 CYP2C19 (0.36) USP2VDRCYP2C19MEN1KMT2A
SCHEMBL7298622 0.72 CYP2C19 (0.45) CYP1A2CYP2C19MEN1KMT2AMAPK1
SCHEMBL7295857 0.72 CYP2C19 (0.45) CYP1A2CYP2C19MEN1KMT2AMAPK1
SCHEMBL11241545 0.71 USP2 (0.57) USP2VDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022203-B2 Amino derivatives of beta-homoandrostanes and beta-heteroandrostanes SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-09-20 — — US disclosed
EP-2032593-B1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA TAU IND FARMACEUTI (IT) 2011-02-02 — — EP disclosed
US-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-08-20 — — US disclosed
EP-2032593-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-03-11 — — EP disclosed
WO-2007147713-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-12-27 — — 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 (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-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES CYP11B2, PTGIS, PTGER1 USP2 3239/4885VDR 276/4885CYP1A2 66/4885

“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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