SCHEMBL3241808

SCHEMBL3241808

CSc1ccc(OBOc2ccc(SC)c(C)c2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 1/20 0.42
SLC6A4 P31645 6/20 0.41
THRB P10828 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
GUSB P08236 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A3 Q01959 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
POLB P06746 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
SCHEMBL3640883 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL177356 0.76 TDP1 (0.44) ALDH1A1HPGDSLC6A4
SCHEMBL29804592 0.76 TDP1 (0.44) ALDH1A1HPGDSLC6A4
SCHEMBL13019882 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL12300317 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL27633809 0.73 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL16483445 0.73 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL11702159 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL11850025 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL11661452 0.72 CYP3A4 (0.49) ALDH1A1CYP3A4TSHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530470-B9 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2010-04-07 EP disclosed
US-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-1530470-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP DALLY ROBERT DEAN 2008-09-04 US disclosed
US-7399867-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP disclosed
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group ELILILLY AND COMPANY 2006-08-17 US disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 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-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP GPER1, ESR2, ESR1 ALDH1A1 424/4885CYP3A4 1971/4885TSHR 1047/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 ALDH1A1 424/4885CYP3A4 1971/4885TSHR 1047/4885

“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.