SCHEMBL23978743

SCHEMBL23978743

COC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(F)c1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ LMNA P02545 7/20 0.45
▸ MAPT P10636 3/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90B1 P14625 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPY2R P49146 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL30279442 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL30279364 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL30279365 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL23978808 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL23978723 0.90 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL30279426 0.90 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL23978844 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PKMLMNAL3MBTL1
SCHEMBL30279391 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAL3MBTL1NCOA3
SCHEMBL23978742 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAL3MBTL1NCOA3
SCHEMBL10129825 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMLMNAMAPT

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-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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN 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 SMN1; SMN2 3098/4885ALDH1A1 399/4885PKM 4776/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SMN1; SMN2 3098/4885ALDH1A1 399/4885PKM 4776/4885

“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.

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