SCHEMBL3123874

SCHEMBL3123874

COc1cc(O)ccc1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TRPV4 Q9HBA0 1/20 0.44
▸ APP P05067 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL16316790 0.85 SMN1; SMN2 (0.65) MAOBSMN1; SMN2ENPP2KMT2ACAPN1
SCHEMBL4072806 0.85 MAOB (0.53) MAOBTRPV4APPESR1ESR2
SCHEMBL27844647 0.83 MAOB (0.52) MAOBTRPV4APPESR1ESR2
SCHEMBL27938722 0.83 MAOB (0.52) MAOBTRPV4APPESR1ESR2
SCHEMBL25316225 0.79 ENPP2 (0.37) MAOBSMN1; SMN2ESR1ESR2ENPP2
SCHEMBL30507069 0.79 ENPP2 (0.37) MAOBSMN1; SMN2ESR1ESR2ENPP2
Formaldehyde SCHEMBL28968600 0.79 ESR1 (0.45) MAOBSMN1; SMN2ESR1ESR2HSP90AA1
SCHEMBL2719702 0.78 CA12 (0.54) SMN1; SMN2TRPV4CYP3A4GAA
SCHEMBL12888826 0.78 MCOLN3 (0.57) SMN1; SMN2TRPV4CYP3A4MEN1KMT2A
SCHEMBL11143856 0.78 MAOB (0.46) MAOBSMN1; SMN2TRPV4APPESR1

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 10 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-7169499-B2 Sulfonated polyphosphazenes, uses thereof, and methods for preparing same PARALLEL SOLUTIONS, INC. (US) 2007-01-30 — — US 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 MAOB 1455/4885SMN1; SMN2 4010/4885TRPV4 509/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 MAOB 1455/4885SMN1; SMN2 4010/4885TRPV4 509/4885

“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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