SCHEMBL21576342

SCHEMBL21576342

COC(=O)c1cc2n(c1)CC(O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
KDM4E B2RXH2 5/20 0.36
XDH P47989 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL21570137 0.85 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL21576343 0.83 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL21570229 0.82 HSD17B10 (0.42) KDM4EL3MBTL1HSD17B10ALDH1A1NPC1
SCHEMBL26085553 0.76 ALDH1A1 (0.48) KDM4ETDP1LMNAHSD17B10ALDH1A1
SCHEMBL22572067 0.75 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL21570102 0.75 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL26085557 0.74 KDM4E (0.43) KDM4ELMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL21570249 0.73 HSD17B10 (0.41) KDM4EPOLBL3MBTL1HSD17B10ALDH1A1
SCHEMBL21576408 0.72 SMN1; SMN2 (0.34) CA12CA1CA2CA7CA9
SCHEMBL21570233 0.71 SMN1; SMN2 (0.41) 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 7 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-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 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

“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.