SCHEMBL3763146

SCHEMBL3763146

Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3[C@H]3C[C@H]3[C@@]4(O)CCC(=O)O)[C@H]3CCC(=O)C=C23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.46
▸ AR P10275 8/20 0.46
▸ CYP19A1 P11511 2/20 0.37
▸ NR3C2 P08235 1/20 0.33
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 3/20 0.30
▸ CYP3A4 P08684 3/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ STS P08842 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ABCB11 O95342 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
SCHEMBL16564584 0.91 PGR (0.46) PGRARCYP19A1NR3C2LMNA
SCHEMBL923899 0.85 PGR (0.45) PGRARCYP19A1NR3C2LMNA
SCHEMBL926798 0.85 PGR (0.45) PGRARCYP19A1NR3C2LMNA
SCHEMBL13372567 0.83 PGR (0.46) PGRARCYP19A1NR3C2
SCHEMBL3761697 0.83 PGR (0.64) PGRARCYP19A1NR3C2LMNA
SCHEMBL3763162 0.83 PGR (0.64) PGRARCYP19A1NR3C2LMNA
SCHEMBL12998965 0.81 PGR (0.69) PGRARCYP19A1NR3C2LMNA
SCHEMBL16572817 0.81 PGR (0.69) PGRARCYP19A1NR3C2LMNA
SCHEMBL982224 0.79 PGR (0.43) PGRARCYP19A1NR3C2MAPT
SCHEMBL925815 0.78 PGR (0.39) PGRARCYP19A1NR3C2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 — — US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTEINGESELLSCHAFT (DE) 2010-12-09 — — 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-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 PGR 57/4885AR 58/4885CYP19A1 11/4885
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 PGR 57/4885AR 33/4885CYP19A1 12/4885

“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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