SCHEMBL19420041

SCHEMBL19420041

CC(C)Oc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C)C(C)C)C3=O)cn2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.53
BAK1 Q16611 3/20 0.53
BCL2L1 Q07817 2/20 0.43
PTPN1 P18031 4/20 0.43
ADAMTS5 Q9UNA0 2/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BCL2 P10415 3/20 0.40
BCL2L2 Q92843 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
KMO O15229 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19425343 0.89 MCL1 (0.58) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL3425202 0.88 MCL1 (0.62) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL13461379 0.85 MCL1 (0.57) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL3422932 0.85 MCL1 (0.56) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL3422938 0.85 MCL1 (0.56) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL3422944 0.85 MCL1 (0.56) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL13461491 0.84 MCL1 (0.52) MCL1BAK1BCL2L1PTPN1ADAMTS5
SCHEMBL3427111 0.80 MYC (0.51) ADAMTS5MAPTMEN1KMT2AALDH1A1
SCHEMBL3427113 0.80 MYC (0.51) ADAMTS5MAPTMEN1KMT2AALDH1A1
SCHEMBL19420037 0.80 MCL1 (0.52) MCL1BAK1BCL2L1PTPN1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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 (1 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MCL1 137/4885BAK1 524/4885BCL2L1 953/4885

“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.