SCHEMBL21576359

SCHEMBL21576359

COC(=O)N1CCn2cc(C(=O)O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.52
▸ 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
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ USP2 O75604 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
SCHEMBL24158776 0.87 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21576352 0.83 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL22572396 0.77 NR1H2 (0.57) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL24159307 0.70 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL16099892 0.69 ENPP2 (0.43) —
SCHEMBL18372198 0.69 HDAC6 (0.38) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21570231 0.69 ALDH1A1 (0.37) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21570216 0.68 PTGER4 (0.36) HDAC6HSD17B10
SCHEMBL17572996 0.67 ALDH1A1 (0.54) MAPTKMT2AALDH1A1L3MBTL1CYP2C19
SCHEMBL21576344 0.67 CA1 (0.32) KMT2APKM

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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