SCHEMBL7685603

SCHEMBL7685603

CC(C)(C)N(Cc1cccs1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.58
RIPK1 Q13546 1/20 0.54
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.44
HSD11B1 P28845 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.43
HCAR3 P49019 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1027537 0.87 TRPM8 (0.49) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL15238873 0.85 POLB (0.58) TRPM8RIPK1POLBTDP1TSHR
SCHEMBL15238988 0.83 POLB (0.63) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL15238845 0.81 POLB (0.60) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL15238806 0.80 TRPM8 (0.46) TRPM8RIPK1POLBTDP1TSHR
SCHEMBL15238979 0.79 POLB (0.58) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL4348503 0.78 CYP2C19 (0.49) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL4348497 0.78 CYP2C19 (0.49) TRPM8RIPK1POLBTDP1CYP2C19
SCHEMBL15239014 0.77 ALDH1A1 (0.46) TRPM8RIPK1POLBTDP1TSHR
SCHEMBL4080378 0.77 POLB (0.69) TRPM8RIPK1POLBTDP1CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US disclosed
US-9512109-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2016-12-06 US disclosed
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-12-24 US disclosed
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-10-15 US disclosed
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2013-09-12 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 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 (6 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-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 TRPM8 559/4885RIPK1 4086/4885POLB 4149/4885
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TRPM8 520/4885RIPK1 4184/4885POLB 4210/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 TRPM8 4408/4885RIPK1 4820/4885POLB 637/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TRPM8 559/4885RIPK1 4086/4885POLB 4149/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TRPM8 559/4885RIPK1 4086/4885POLB 4149/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 TRPM8 559/4885RIPK1 4086/4885POLB 4149/4885

“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.