SCHEMBL23978808

SCHEMBL23978808

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ PKM P14618 4/20 0.47
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL30279365 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279364 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279426 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978723 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978743 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279442 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL10129825 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279422 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978798 0.88 P2RX7 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAP2RX7
SCHEMBL30279386 0.88 P2RX7 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAP2RX7

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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