SCHEMBL23728299

SCHEMBL23728299

CC(C)(C)OC(=O)Nc1ccc(C2=CCS(=O)(=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.48
CYP17A1 P05093 3/20 0.47
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
MAP4K4 O95819 1/20 0.42
PRKDC P78527 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NAMPT P43490 2/20 0.40
DRD2 P14416 1/20 0.40
LIPE Q05469 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
CHRM1 P11229 1/20 0.39
BCL2 P10415 2/20 0.39
BECN1 Q14457 2/20 0.39
SREBF2 Q12772 1/20 0.39
PTPN11 Q06124 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 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
SCHEMBL23727756 0.79 DHODH (0.42) NAMPTPTPN1PTPN11
SCHEMBL20865536 0.78 CYP17A1 (0.68) PSMB8CYP17A1BRD4CREBBPMAP4K4
SCHEMBL13055402 0.76 CYP17A1 (0.59) PSMB8CYP17A1MAP4K4NAMPTDRD2
SCHEMBL615178 0.75 PSMB8 (0.49) PSMB8CYP17A1BRD4CREBBPMAP4K4
SCHEMBL3785153 0.74 CYP17A1 (0.59) PSMB8CYP17A1MAP4K4PRKDCCD274
Methane SCHEMBL28036476 0.73 CYP17A1 (0.58) PSMB8CYP17A1MAP4K4PRKDCCD274
SCHEMBL24722860 0.73 CA12 (0.37) CYP17A1BRD4CREBBPDRD2LIPE
SCHEMBL3968632 0.72 CYP17A1 (0.61) PSMB8CYP17A1BRD4MAP4K4PRKDC
SCHEMBL18570243 0.72 CYP17A1 (0.61) PSMB8CYP17A1MAP4K4CD274NAMPT
SCHEMBL78108 0.72 MAPT (0.53) PSMB8CYP17A1MAP4K4NAMPTPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 PSMB8 4185/4885CYP17A1 3048/4885BRD4 2049/4885

“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.