SCHEMBL6585591

SCHEMBL6585591

Cc1ccc(S(=O)(=O)OCC(O)(CC(C)(C)c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.42
NR3C2 P08235 4/20 0.42
PGR P06401 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 4/20 0.39
STAT3 P40763 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
RORC P51449 1/20 0.35
VDR P11473 1/20 0.34

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
SCHEMBL6585677 0.89 HSD11B1 (0.44) NR3C1NR3C2MEN1KMT2AALDH1A1
SCHEMBL476769 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1STAT3CYP3A4
SCHEMBL13160701 0.82 CYP3A4 (0.42) MEN1KMT2AALDH1A1STAT3CYP3A4
SCHEMBL1027177 0.79 CYP2C19 (0.46) MEN1KMT2AALDH1A1STAT3CYP3A4
SCHEMBL4816869 0.78 PTGS2 (0.42) NR3C1NR3C2PGRMEN1KMT2A
SCHEMBL6582741 0.78 ALDH1A1 (0.39) MEN1KMT2AALDH1A1STAT3CYP3A4
SCHEMBL14353045 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1STAT3CYP3A4
SCHEMBL6585998 0.77 NR3C1 (0.66) NR3C1NR3C2PGR
SCHEMBL14460714 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HSD11B1STAT3
SCHEMBL30156542 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HSD11B1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986545-B1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AG (DE) 2004-12-29 EP disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 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 (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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 NR3C1 25/4885NR3C2 32/4885PGR 9/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 NR3C1 30/4885NR3C2 32/4885PGR 9/4885

“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.