SCHEMBL3193293

SCHEMBL3193293

CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H](c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
TACR1 P25103 3/20 0.53
GPR119 Q8TDV5 2/20 0.53
USP7 Q93009 4/20 0.52
USP30 Q70CQ3 3/20 0.50
PDE4B Q07343 1/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGDS O60760 1/20 0.47
STS P08842 1/20 0.46

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
SCHEMBL3194550 1.00 RORC (0.56) RORCTACR1GPR119USP7USP30
SCHEMBL1970240 1.00 RORC (0.56) RORCTACR1GPR119USP7USP30
SCHEMBL14403275 1.00 RORC (0.56) RORCTACR1GPR119USP7USP30
SCHEMBL3193282 1.00 RORC (0.56) RORCTACR1GPR119USP7USP30
SCHEMBL1751263 1.00 RORC (0.56) RORCTACR1GPR119USP7USP30
SCHEMBL2239870 0.90 TACR1 (0.61) RORCTACR1GPR119USP7USP30
SCHEMBL953506 0.90 TACR1 (0.61) RORCTACR1GPR119USP7USP30
SCHEMBL953505 0.90 TACR1 (0.61) RORCTACR1GPR119USP7USP30
SCHEMBL2244835 0.90 TACR1 (0.61) RORCTACR1GPR119USP7USP30
SCHEMBL2240156 0.90 TACR1 (0.61) RORCTACR1GPR119USP7USP30

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
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 US disclosed
EP-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 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 (4 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 RORC 38/4885TACR1 1574/4885GPR119 1782/4885
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 RORC 2651/4885TACR1 1028/4885GPR119 2066/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C RORC 45/4885TACR1 1302/4885GPR119 1534/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C RORC 45/4885TACR1 1302/4885GPR119 1534/4885

“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.