SCHEMBL21576558

SCHEMBL21576558

CC(C)(C)OC(=O)c1cc2n(c1)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
CASR P41180 1/20 0.33
SRD5A1 P18405 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PIK3CA P42336 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MGLL Q99685 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL31352077 0.84 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAALDH1A1HPGDALOX15
SCHEMBL23386845 0.79 NPC1 (0.38) SMN1; SMN2ALDH1A1HPGDPRKDCKDM4E
SCHEMBL21570108 0.77 POLB (0.42) SMN1; SMN2PIK3CAHSD17B10MEN1LMNA
SCHEMBL24158877 0.77 PIK3CA (0.38) PIK3CAMEN1KMT2AMTOR
SCHEMBL31352213 0.76 KDM4E (0.36) SMN1; SMN2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL24568627 0.76 HRH3 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL24568379 0.71 CNR1 (0.37) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL21576564 0.70 SMN1; SMN2 (0.37) SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL22572452 0.69
SCHEMBL24567562 0.69 MAPK1 (0.45) SMN1; SMN2ALDH1A1HPGD

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-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-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 (4 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 SMN1; SMN2 1771/4885USP2 893/4885CASR 4760/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885USP2 893/4885CASR 4760/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885USP2 893/4885CASR 4760/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885USP2 893/4885CASR 4760/4885

“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.