SCHEMBL1402437

SCHEMBL1402437

CCOc1ccc(C#N)cc1OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.61
S1PR1 P21453 2/20 0.51
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
PRNP P04156 1/20 0.49
ALOX15 P16050 1/20 0.49
BRCA1 P38398 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD4 P21917 1/20 0.48
GAA P10253 2/20 0.48
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
AR P10275 3/20 0.44

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
SCHEMBL1964286 0.91 TRPV4 (0.56) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL6944897 0.91 TRPV4 (0.56) TRPV4S1PR1MAPTMEN1KMT2A
SCHEMBL15869350 0.91 TRPV4 (0.56) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL13127157 0.88 TRPV4 (0.51) TRPV4S1PR1MAPTMEN1KMT2A
SCHEMBL5418640 0.86 TRPV4 (0.59) TRPV4S1PR1ALDH1A1DRD4AR
SCHEMBL3743217 0.86 TRPV4 (0.52) TRPV4S1PR1MAPTMEN1KMT2A
SCHEMBL18528829 0.86 PTGDR2 (0.60) TRPV4MAPTMEN1KMT2AALDH1A1
SCHEMBL21087453 0.85 TRPV4 (0.51) TRPV4S1PR1MAPTMEN1KMT2A
SCHEMBL437358 0.85 TRPV4 (0.54) TRPV4S1PR1MAPTMEN1KMT2A
SCHEMBL3920381 0.84 TRPV4 (0.50) TRPV4S1PR1GAAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 US disclosed
US-9382217-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-05 US disclosed
EP-2913326-A1 Novel modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-02 EP disclosed
CN-102118972-B Novel modulators of sphingosine phosphate receptors SCRIPPS RESEARCH INST 2015-06-10 CN disclosed
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-0957915-B1 THIAZOLE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND OF CELL ADHESION OTSUKA PHARMA CO LTD (JP) 2005-02-02 EP disclosed
US-6790977-B2 REACTING THE 3,4-DIALKOXY BENZONITRILE WITH AN ALKALI METAL HALIDE, FOLLOWED BY TREATING WITH HYDROCHLORIC ACID; HIGH YIELD AND A LOW COST STARTING MATERIAL SINON CORPORATION (TW) 2004-09-14 US disclosed
US-20040024239-A1 Process for preparing 3,4-dihydroxy-benzonitrile SINON CORPORATION (TW) 2004-02-05 US disclosed
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO. LTD. 2004-01-22 US disclosed
US-6583163-B2 Using thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2002-01-31 US disclosed
US-6291487-B1 THIAZOLES SUBSTITUTED WITH A PHENYL AND A PYRIDYL GROUP OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP 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-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 TRPV4 191/4885S1PR1 1/4885MAPT 4693/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TRPV4 192/4885S1PR1 1/4885MAPT 4675/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TRPV4 158/4885S1PR1 1/4885MAPT 4538/4885
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN TRPV4 2674/4885S1PR1 829/4885MAPT 4360/4885
US-20040024239-A1 Process for preparing 3,4-dihydroxy-benzonitrile PAH, HCN4, HPD TRPV4 297/4885S1PR1 4688/4885MAPT 2879/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL TRPV4 2515/4885S1PR1 729/4885MAPT 4491/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TRPV4 192/4885S1PR1 1/4885MAPT 4675/4885
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TRPV4 192/4885S1PR1 1/4885MAPT 4675/4885
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN TRPV4 2674/4885S1PR1 829/4885MAPT 4360/4885

“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.