SCHEMBL21576229

SCHEMBL21576229

Cc1nnc(CCC(=O)C(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
GLS O94925 3/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL12263495 0.79 L3MBTL1 (0.46) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL4771728 0.78 SMN1; SMN2 (0.44) TSHRSMN1; SMN2RAB9ANPC1GLS
SCHEMBL20631846 0.75 HSD17B10 (0.48) TSHRSMN1; SMN2RAB9ANPC1GLS
SCHEMBL11377836 0.73 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1GLSL3MBTL1
SCHEMBL6303435 0.72 SLC6A3 (0.39) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL12752491 0.71 SMN1; SMN2 (0.39) TSHRSMN1; SMN2RAB9ANPC1GLS
SCHEMBL22861048 0.71 POLB (0.37) TSHRSMN1; SMN2RAB9ANPC1GLS
SCHEMBL6297776 0.69 SMN1; SMN2 (0.38) TSHRSMN1; SMN2RAB9ANPC1POLB
SCHEMBL24259191 0.68 GLS (0.48) TSHRSMN1; SMN2RAB9ANPC1GLS
SCHEMBL13398310 0.67 SMN1; SMN2 (0.40) TSHRSMN1; SMN2RAB9ANPC1GLS

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 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885RAB9A 3188/4885

“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.