SCHEMBL23979042

SCHEMBL23979042

CCOC(=O)C(CNC(=O)NC1CCc2ccccc21)NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.42
TAS1R1 Q7RTX1 5/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 2/20 0.41
TAS1R2 Q8TE23 4/20 0.40
EPHX2 P34913 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
BACE1 P56817 1/20 0.39
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ACKR3 P25106 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL23978623 1.00 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL24805474 1.00 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL30083833 1.00 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL26476140 0.94 TAS1R3 (0.42) TAS1R3TAS1R1LMNADHODHTAS1R2
SCHEMBL26476252 0.94 TAS1R3 (0.42) TAS1R3TAS1R1LMNADHODHTAS1R2
SCHEMBL24803383 0.93 EPHX2 (0.42) TAS1R3TAS1R1DHODHTAS1R2EPHX2
SCHEMBL30083842 0.93 EPHX2 (0.42) TAS1R3TAS1R1DHODHTAS1R2EPHX2
SCHEMBL26498658 0.93 EPHX2 (0.42) TAS1R3TAS1R1DHODHTAS1R2EPHX2
SCHEMBL30279452 0.92 TAS1R3 (0.38) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL23978577 0.92 TAS1R3 (0.38) TAS1R3TAS1R1LMNASMN1; SMN2DHODH

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 TAS1R3 1142/4885TAS1R1 628/4885LMNA 2041/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TAS1R3 1142/4885TAS1R1 628/4885LMNA 2041/4885

“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.