SCHEMBL23489251

SCHEMBL23489251

CCOC(=O)[C@@H](N)CNC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL7416221 0.90 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL7416225 0.90 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL8127521 0.90 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL23455567 0.88 MAOA (0.39) ALDH1A1MEN1KMT2ATSHRMAOA
SCHEMBL20999543 0.88 MAOA (0.39) ALDH1A1MEN1KMT2ATSHRMAOA
SCHEMBL23455458 0.84 MEN1 (0.46) MEN1KMT2AMAOAMAOBGAA
SCHEMBL23455605 0.84 MEN1 (0.46) MEN1KMT2AMAOAMAOBGAA
SCHEMBL19426811 0.82 MAOA (0.37) ALDH1A1MEN1KMT2ATSHRMAOA
SCHEMBL23518266 0.82 CYP1A2 (0.44) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL13253167 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 — — EP disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 — — WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 — — 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ALDH1A1 227/4885MEN1 847/4885KMT2A 4790/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ALDH1A1 227/4885MEN1 847/4885KMT2A 4790/4885

“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.

Send feedback