Sugi Predict

Sugi Predict / Compounds / SCHEMBL26508696

SCHEMBL26508696

SCHEMBL26508696

O=C(NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl)C(=O)OCc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.43
▸ TACR1 P25103 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CXCR3 P49682 1/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35

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
SCHEMBL30083842 0.96 EPHX2 (0.42) TRPV1TACR1LIPGEPHX2DHODH
SCHEMBL26498658 0.96 EPHX2 (0.42) TRPV1TACR1LIPGEPHX2DHODH
SCHEMBL24803383 0.96 EPHX2 (0.42) TRPV1TACR1LIPGEPHX2DHODH
SCHEMBL30336947 0.91 TRPV1 (0.46) TRPV1NPC1EPHX2DHODHGSK3B
SCHEMBL23978574 0.91 TRPV1 (0.46) TRPV1NPC1EPHX2DHODHGSK3B
SCHEMBL23978958 0.91 TRPV1 (0.46) TRPV1NPC1EPHX2DHODHGSK3B
SCHEMBL26105654 0.91 TRPV1 (0.46) TRPV1NPC1EPHX2DHODHGSK3B
SCHEMBL24803295 0.90 EPHX2 (0.42) TRPV1LIPGEPHX2DHODHTAOK1
SCHEMBL24803301 0.90 EPHX2 (0.42) TRPV1LIPGEPHX2DHODHTAOK1
SCHEMBL30083818 0.90 EPHX2 (0.42) TRPV1LIPGEPHX2DHODHTAOK1

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
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 — — EP 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

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 TRPV1 2681/4885TACR1 2368/4885LIPG 2259/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TRPV1 2681/4885TACR1 2368/4885LIPG 2259/4885

“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.