SCHEMBL21576352

SCHEMBL21576352

CC(=O)N1CCn2cc(C(=O)O)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ NOTUM Q6P988 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL24159307 0.86 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21576359 0.83 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12286460 0.76 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL18372198 0.72 HDAC6 (0.38) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21570231 0.72 ALDH1A1 (0.37) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL24158776 0.70 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL1393022 0.69 ALDH1A1 (0.39) HDAC6KDM4EALDH1A1HPGDKMT2A
SCHEMBL9124207 0.68 NOTUM (0.50) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL26085552 0.68 USP2 (0.47) HDAC6KDM4EALDH1A1HPGDKMT2A
SCHEMBL21570108 0.67 POLB (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 — — US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 — — US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 — — EP disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 — — US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 — — US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 — — US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 — — 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 (6 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HDAC6 178/4885HDAC3 491/4885HDAC1 204/4885

“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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