SCHEMBL2969954

SCHEMBL2969954

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 8/20 0.43
SLC6A2 P23975 1/20 0.43
TMEM97 Q5BJF2 6/20 0.42
DRD1 P21728 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP2C9 P11712 1/20 0.40
TSPO P30536 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDK2 Q15119 1/20 0.38
UCHL1 P09936 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
SCHEMBL13057665 0.82 UCHL1 (0.43) KDM4EMAPTKMT2AMAOBCYP3A4
SCHEMBL2935252 0.80 P2RY14 (0.67) P2RY14SLC6A2TMEM97DRD1SIGMAR1
SCHEMBL22719408 0.77 UCHL1 (0.42) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL21054435 0.75 LIPE (0.45) MEN1MAPTKMT2AUCHL1
SCHEMBL30608333 0.75 MAOB (0.51) P2RY14SLC6A2KDM4EMEN1HSP90AA1
SCHEMBL3762664 0.74 P2RY14 (0.53) P2RY14TMEM97DRD1SIGMAR1CYP2C9
SCHEMBL2935754 0.74 P2RY14 (0.47) P2RY14SLC6A2TMEM97DRD1SIGMAR1
SCHEMBL18786712 0.73 UCHL1 (0.43) KDM4EMEN1MAPTKMT2AUCHL1
SCHEMBL2824607 0.73 NOTUM (0.41) CYP2C9MEN1MAPTKMT2AMAOB
SCHEMBL30963943 0.73 NOTUM (0.41) CYP2C9MEN1MAPTKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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 (3 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885SLC6A2 1169/4885TMEM97 143/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 P2RY14 1/4885SLC6A2 4393/4885TMEM97 189/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RY14 1/4885SLC6A2 4393/4885TMEM97 189/4885

“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.