SCHEMBL23978773

SCHEMBL23978773

COC(=O)c1c(Cl)cc(C(=O)NCc2cccc(F)c2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 1/20 0.48
MMP13 P45452 1/20 0.48
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.46
P2RY12 Q9H244 1/20 0.46
NAMPT P43490 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL23978689 0.88 NPC1 (0.55) ROCK2ROCK1MMP13MEN1PLA2G1B
SCHEMBL23978695 0.86 ROCK2 (0.51) ROCK2ROCK1MMP13MEN1PLA2G1B
SCHEMBL23978774 0.86 MEN1 (0.50) EPHX2ROCK2MEN1PLA2G1BCYP1A2
SCHEMBL23978716 0.85 MMP13 (0.68) ROCK2ROCK1MMP13CYP3A4GAA
SCHEMBL23978883 0.85 MEN1 (0.69) ROCK2ROCK1MEN1PLA2G1BCYP1A2
SCHEMBL23978780 0.82 ROCK2 (0.51) ROCK2ROCK1MMP13HPGDLMNA
SCHEMBL23979111 0.82 LMNA (0.63) EPHX2MEN1GAAKMT2AHPGD
SCHEMBL20804355 0.81 HPGD (0.57) ROCK2MMP13MEN1PLA2G1BCYP1A2
SCHEMBL5338226 0.77 HPGD (0.63) EPHX2ROCK2MMP13MEN1GAA
SCHEMBL22305420 0.76 THRB (0.58) MEN1CYP1A2CYP2C19KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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 (2 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 EPHX2 1037/4885ROCK2 485/4885ROCK1 621/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 EPHX2 1037/4885ROCK2 485/4885ROCK1 621/4885

“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.