SCHEMBL23978577

SCHEMBL23978577

CCOC(=O)OC(C)OC(=O)[C@H](CNC(=O)N[C@@H]1CCc2ccccc21)NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 2/20 0.37
BACE1 P56817 2/20 0.37
TAS1R2 Q8TE23 3/20 0.36
EPHX2 P34913 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
USP2 O75604 1/20 0.36
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
HTT P42858 1/20 0.34
KCNA5 P22460 1/20 0.34
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.34
ACKR3 P25106 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL30279452 1.00 TAS1R3 (0.38) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL23978960 1.00 TAS1R3 (0.38) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL26476274 0.95 TAS1R3 (0.38) TAS1R3TAS1R1LMNADHODHBACE1
SCHEMBL26476155 0.95 TAS1R3 (0.38) TAS1R3TAS1R1LMNADHODHBACE1
SCHEMBL23979042 0.92 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL24805474 0.92 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL30083833 0.92 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL23978623 0.92 TAS1R3 (0.42) TAS1R3TAS1R1LMNASMN1; SMN2DHODH
SCHEMBL30083842 0.86 EPHX2 (0.42) TAS1R3TAS1R1DHODHBACE1TAS1R2
SCHEMBL24803383 0.86 EPHX2 (0.42) TAS1R3TAS1R1DHODHBACE1TAS1R2

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.