SCHEMBL23978667

SCHEMBL23978667

Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KCNQ2 O43526 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.43
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CLK1 P49759 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL23978694 0.85 CA12 (0.46) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL23978834 0.81 KCNQ2 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30336898 0.81 KCNQ2 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL23978681 0.80 ITGB2 (0.46) SMN1; SMN2LMNAMEN1GAAKMT2A
SCHEMBL23978674 0.72 KCNQ2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL1403495 0.71 CA2 (0.65) SMN1; SMN2LMNAMEN1GAAKMT2A
SCHEMBL23978894 0.71 KCNQ2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL19512111 0.70 KDM4E (0.49) LMNAMEN1GAAKMT2AALDH1A1
SCHEMBL11216806 0.69 DPP4 (0.54) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL19512032 0.69 GAA (0.50) LMNAMEN1GAAKMT2AL3MBTL1

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
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 3098/4885LMNA 2041/4885MEN1 3741/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SMN1; SMN2 3098/4885LMNA 2041/4885MEN1 3741/4885

“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.