SCHEMBL21570130

SCHEMBL21570130

COCc1cc(C(=O)OC)cn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.39
XDH P47989 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL21570215 0.84 HDAC3 (0.38) CA12CA1CA2CA7CA9
SCHEMBL26085596 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL24158939 0.84 HDAC8 (0.41) CYP2C9LMNAGAAL3MBTL1MAPT
SCHEMBL21576600 0.81 CYP1A2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2361149 0.75 TDP1 (0.49) CYP1A2CYP2C19CYP2C9CYP3A4KDM4E
SCHEMBL18092436 0.74 CA1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL9713997 0.74 CYP1A2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL12271793 0.73 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL1527205 0.73 SMN1; SMN2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL10940459 0.73 CYP1A2 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
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
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN 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
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 EP 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-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
EP-3793565-A1 MCL-1 INHIBITORS Gilead Sciences, Inc. (US) 2021-03-24 EP disclosed
CN-112118845-A MCL-1 inhibitors 吉利德科学公司 2020-12-22 CN disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 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-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
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 (7 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 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885

“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.