SCHEMBL962492

SCHEMBL962492

CNC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 3/20 0.49
FABP6 P51161 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL12626799 1.00 ALDH1A1 (0.54) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL17780215 0.94 ALDH1A1 (0.53) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL962569 0.88 TP53 (0.43) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL12225575 0.88 TP53 (0.43) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL962299 0.88 TP53 (0.43) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL17780281 0.85 FABP6 (0.54) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL14037777 0.83 EPHX2 (0.41) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL3675986 0.83 KMT2A (0.47) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL13741699 0.81 TSHR (0.54) ALDH1A1TSHRFABP6MAPK1LMNA
SCHEMBL21843867 0.81 ALDH1A1 (0.51) ALDH1A1TSHRFABP6MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
EP-2814828-B9 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2020-10-07 EP disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-9458160-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2016-10-04 US disclosed
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2016-02-18 US disclosed
US-9187480-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2015-11-17 US disclosed
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 US disclosed
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20050113395-A1 Method of treatment of atherosclerosis PFIZER INC 2005-05-26 US disclosed
US-20040116449-A1 Method of treatment of transplant rejection PFIZER INC 2004-06-17 US disclosed
WO-2004047843-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION PFIZER PRODUCTS INC. (US) 2004-06-10 WO disclosed
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2004-03-18 US disclosed
EP-1382339-A1 Compositions containing pyrrolo [2,3-d] pyrimidine derivatives Pfizer Products Inc. (US) 2004-01-21 EP disclosed
EP-1235830-B1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS PROTEIN KINASES INHIBITORS PFIZER PROD INC (US) 2004-01-02 EP disclosed
US-6627754-B2 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile PFIZER INC. 2003-09-30 US disclosed
EP-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 US disclosed
WO-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 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 (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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 ALDH1A1 1767/4885TSHR 844/4885FABP6 1591/4885
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds JAK1, JAK3, TPMT ALDH1A1 1564/4885TSHR 37/4885FABP6 2903/4885
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 ALDH1A1 1149/4885TSHR 2122/4885FABP6 177/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 ALDH1A1 1767/4885TSHR 844/4885FABP6 1591/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT ALDH1A1 1606/4885TSHR 16/4885FABP6 1970/4885
US-20050113395-A1 Method of treatment of atherosclerosis LDLR, MSR1, NR1H2 ALDH1A1 1166/4885TSHR 1383/4885FABP6 1122/4885
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 ALDH1A1 1149/4885TSHR 2122/4885FABP6 177/4885

“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.