SCHEMBL3963002

SCHEMBL3963002

C/C=C/C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
ABCB1 P08183 2/20 0.42
FAAH O00519 1/20 0.41
IDH1 O75874 8/20 0.40
PPARA Q07869 2/20 0.40
IL6ST P40189 1/20 0.39
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL5058895 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL5058893 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL4192293 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL3963007 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL8863773 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL14175205 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747719 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747720 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747717 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL14175204 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013064029-A1 BENZOYLUREA DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF 浙江海正药业股份有限公司 (CN) 2013-05-10 WO claimed
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-10711020-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US disclosed
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-08-08 US disclosed
US-10273259-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 US disclosed
EP-3292101-A1 TRICYCLIC SULFONES AS ROR MODULATORS Bristol-Myers Squibb Company (US) 2018-03-14 EP disclosed
US-20180002358-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-9815859-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-14 US disclosed
WO-2016179460-A1 TRICYCLIC SULFONES AS RORϒ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-10 WO disclosed
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-10 US disclosed
US-7300951-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-27 US disclosed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US disclosed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-6375943-B1 ETHYL (1R,2R,5R)-5-IODO-2-METHYLCYCLOHEXANE-1-CARBOXYLATE IN AN ENANTOMERIC EXCESS OF AT LEAST 70%. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2002-04-23 US disclosed
US-5668164-A Process for synthesis of chiral cis-and trans-3-amino-4 substituted pyrrolidine compounds ABBOTT LABORATORIES (US) 1997-09-16 US disclosed
US-5618949-A Process for synthesis of chiral cis- and trans-3-amino-4-substituted pyrrolidine compounds ABBOTT LABORATORIES (US) 1997-04-08 US disclosed
US-5461162-A Reacting an (oxa- or thia)zolidone or a sultam with an anhydride in the presence of a lithium salt and an amine MERCK & CO., INC. (US) 1995-10-24 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 (7 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-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 NAAA 2080/4885ABCB1 2543/4885FAAH 1604/4885
US-20180002358-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA NAAA 3889/4885ABCB1 1849/4885FAAH 1621/4885
US-10711020-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA NAAA 4009/4885ABCB1 1802/4885FAAH 1538/4885
US-20160326195-A1 TRICYCLIC SULFONES AS RORy MODULATORS RORB, RORC, RORA NAAA 3516/4885ABCB1 1815/4885FAAH 1312/4885
US-20070142632-A1 Fluorination process CYP2F1, SF3A2, SF3B2 NAAA 3393/4885ABCB1 1200/4885FAAH 380/4885
US-20190241588-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA NAAA 3889/4885ABCB1 1849/4885FAAH 1621/4885
US-10273259-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA NAAA 4009/4885ABCB1 1802/4885FAAH 1538/4885

“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.