SCHEMBL23978774

SCHEMBL23978774

O=C(NCc1cccc(F)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PLA2G1B P04054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
EIF4E P06730 1/20 0.50
EPHX2 P34913 2/20 0.49
ROCK2 O75116 1/20 0.49
PPARG P37231 1/20 0.48
SRC P12931 1/20 0.48
TP53 P04637 1/20 0.47
NAMPT P43490 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL23978699 0.86 NPC1 (0.59) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23978773 0.86 EPHX2 (0.49) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL3867075 0.85 ROCK2 (0.54) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL30336905 0.85 ROCK2 (0.54) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL20804355 0.84 HPGD (0.57) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23978884 0.84 MEN1 (0.73) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL3462286 0.82 HDAC2 (0.60) MEN1KMT2APPARGSRCTP53
SCHEMBL30279331 0.81 MMP13 (0.68) CYP3A4GAACYP2D6ROCK2HPGD
SCHEMBL23978781 0.81 MAOA (0.53) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL3872357 0.81 MMP13 (0.68) CYP3A4GAACYP2D6ROCK2HPGD

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 4 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-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 MEN1 3741/4885KMT2A 3044/4885PLA2G1B 931/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MEN1 3741/4885KMT2A 3044/4885PLA2G1B 931/4885

“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.