SCHEMBL12439743

SCHEMBL12439743

CN1CCC(CS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
NSD2 O96028 1/20 0.36
ACHE P22303 5/20 0.36
SMO Q99835 5/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8318641 0.89 NCF1 (0.41) NCF1NSD2ACHESMOALDH1A1
SCHEMBL29252437 0.83 NCF1 (0.45) NCF1NSD2ACHEGNAI3GNAO1
SCHEMBL12593545 0.80 NCF1 (0.46) NCF1NSD2ACHEGNAI3GNAO1
SCHEMBL1273104 0.80 TP53 (0.48) ALDH1A1
SCHEMBL20744331 0.80 NCF1 (0.52) NCF1NSD2ACHESMOGNAI3
SCHEMBL19734284 0.80 NCF1 (0.46) NCF1NSD2ACHEGNAI3GNAO1
SCHEMBL16907705 0.80 SMO (0.35) SMORORCALDH1A1
SCHEMBL1272565 0.80
SCHEMBL1272200 0.78 SMN1; SMN2 (0.42) SMOHRH3RORC
Hydrochloric Acid SCHEMBL4874119 0.78 INPP5A (0.47) NCF1NSD2ACHEGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
WO-2021018195-A1 NOVEL TRICYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed
EP-3172214-B1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-05-13 EP disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 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 (8 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 NCF1 3450/4885NSD2 3840/4885ACHE 3870/4885
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 NCF1 2349/4885NSD2 3880/4885ACHE 2859/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA NCF1 2189/4885NSD2 1012/4885ACHE 3236/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 NCF1 1090/4885NSD2 2729/4885ACHE 3263/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA NCF1 2171/4885NSD2 1018/4885ACHE 3312/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 NCF1 1647/4885NSD2 1086/4885ACHE 3163/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 NCF1 2349/4885NSD2 3880/4885ACHE 2859/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 NCF1 1090/4885NSD2 2729/4885ACHE 3263/4885

“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.