Sugi Predict

Sugi Predict / Compounds / SCHEMBL3908652

SCHEMBL3908652

SCHEMBL3908652

C[C@]12CCC3c4ccc(NS(=O)(=O)O)cc4CCC3C1CC[C@@H]2O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 1/20 0.70
▸ ABCC4 O15439 1/20 0.70
▸ HSD17B10 Q99714 4/20 0.67
▸ ESR1 P03372 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ TSHR P16473 2/20 0.67
▸ ESR2 Q92731 2/20 0.67
▸ STS P08842 2/20 0.67
▸ PGR P06401 2/20 0.67
▸ AR P10275 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SLC22A1 O15245 1/20 0.67
▸ AKR1B10 O60218 1/20 0.67

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
SCHEMBL17515288 0.91 ABCC1 (0.58) ABCC1ABCC4HSD17B10ESR1LMNA
SCHEMBL17515286 0.90 ABCC4 (0.56) ABCC1ABCC4HSD17B10ESR1LMNA
SCHEMBL7096088 0.87 ESR1 (0.68) ABCC1ABCC4HSD17B10ESR1LMNA
SCHEMBL17515287 0.86 ABCC4 (0.52) ABCC1ABCC4HSD17B10ESR1LMNA
SCHEMBL8088913 0.86 STS (0.53) ABCC1ABCC4HSD17B10ESR1LMNA
Alfatradiol SCHEMBL504619 0.85 ESR1 (0.89) ABCC1ABCC4HSD17B10ESR1LMNA
Estradiol SCHEMBL231200 0.85 ESR1 (0.89) ABCC1ABCC4HSD17B10ESR1LMNA
Estradiol SCHEMBL504620 0.85 ESR1 (0.89) ABCC1ABCC4HSD17B10ESR1LMNA
Alfatradiol SCHEMBL14562872 0.84 HSD17B10 (0.87) ABCC1ABCC4HSD17B10ESR1LMNA
Alfatradiol SCHEMBL28291280 0.84 HSD17B10 (0.87) ABCC1ABCC4HSD17B10ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550451-B2 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy BAYER SCHERING PHARMA AG (DE) 2009-06-23 — — US claimed
EP-1525215-B1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2006-09-06 — — EP claimed
US-20050026891-A1 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy BAYER SCHERING PHARMA AG (DE) 2005-02-03 — — US claimed
EP-0775156-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ESTRA-1,3,5(10)-TRIENE DERIVATIVES JENAPHARM GMBH (DE) 2003-09-03 — — EP claimed

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-20050026891-A1 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy LHCGR, PGR, GNRHR ABCC1 3457/4885ABCC4 2211/4885HSD17B10 354/4885

“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.