SCHEMBL2172389

SCHEMBL2172389

NC(=O)C1(S(N)(=O)=O)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD11B1 P28845 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
SCHEMBL20478682 0.80 SIGMAR1 (0.38) HDAC9HCAR2TSHROPRL1
SCHEMBL20478817 0.77 F2 (0.42) KDM1AMAOBTSHR
SCHEMBL315669 0.76 GAA (0.42) HDAC9KDM1A
SCHEMBL315173 0.76 GAA (0.42) HDAC9KDM1A
SCHEMBL17335394 0.74 KDM1A (0.46) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL5147955 0.73 KDM1A (0.44) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL5310777 0.73 KDM4E (0.45) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL29677121 0.73 KDM4E (0.45) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL13946574 0.73 KDM1A (0.44) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL29529215 0.73 KDM1A (0.44) HDAC9KDM1AMAOBHCAR2TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis CELGENE INTERNATIONAL II SÀRL (CH) 2019-03-26 US disclosed
EP-3406142-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Celgene International II Sàrl (CH) 2018-11-28 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2017-11-09 US disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS LLC 2017-06-15 US disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-9388147-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis Celgene International II Sárl (CH) 2016-07-12 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 US disclosed
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2015-09-10 US disclosed
EP-2706999-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2014-03-19 EP disclosed
US-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2014-02-06 US disclosed
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-09-05 US disclosed
US-8507538-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators RECEPTOS, INC. (US) 2013-08-13 US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 US disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 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 (9 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-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 HDAC9 2399/4885KDM1A 3796/4885MAOB 2472/4885
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH S1PR1, S1PR2, S1PR4 HDAC9 1552/4885KDM1A 3528/4885MAOB 3887/4885
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 HDAC9 2399/4885KDM1A 3796/4885MAOB 2472/4885
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 HDAC9 2398/4885KDM1A 3788/4885MAOB 2488/4885
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 HDAC9 2677/4885KDM1A 3866/4885MAOB 3050/4885
US-20170320839-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 HDAC9 2692/4885KDM1A 3872/4885MAOB 3025/4885
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis S1PR1, S1PR3, S1PR2 HDAC9 2692/4885KDM1A 3872/4885MAOB 3025/4885
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 HDAC9 2692/4885KDM1A 3872/4885MAOB 3025/4885
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 HDAC9 2398/4885KDM1A 3788/4885MAOB 2488/4885

“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.