SCHEMBL25119596

SCHEMBL25119596

CC(=O)S[C@@H]1CC2=CC(=O)CCC2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.68
▸ PGR P06401 11/20 0.68
▸ NR3C2 P08235 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ NR3C1 P04150 2/20 0.68
▸ CHRM2 P08172 2/20 0.68
▸ OPRK1 P41145 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ ESR1 P03372 1/20 0.68
▸ ABCB1 P08183 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ HTR2B P41595 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ SLC47A1 Q96FL8 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ MAPT P10636 1/20 0.68

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
SCHEMBL12949428 0.83 AR (0.66) ARPGRNR3C2LMNANR3C1
SCHEMBL12949427 0.82 PGR (0.66) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL18218189 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL8846562 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL9192368 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL18218178 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL8236557 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL21281412 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL21291516 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1
Spironolactone SCHEMBL8846617 0.81 NR3C1 (1.00) ARPGRNR3C2LMNANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108251-A1 COMPOSITIONS AND METHODS FOR THE TOPICAL ADMINISTRATION OF SPIRONOLACTONE FOR THE TREATMENT OF CUTANEOUS SIGNS OF EXCESS ANDROGEN AND CHRONIC STRESS RESPONSE THORNE AMY (US) 2023-04-06 — — 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-20230108251-A1 COMPOSITIONS AND METHODS FOR THE TOPICAL ADMINISTRATION OF SPIRONOLACTONE FOR THE TREATMENT OF CUTANEOUS SIGNS OF EXCESS ANDROGEN AND CHRONIC STRESS RESPONSE CYP17A1, HSD17B7, HSD17B3 AR 8/4885PGR 629/4885NR3C2 7/4885

“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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