SCHEMBL23728147

SCHEMBL23728147

CC1(c2ccc(N)cc2)CCS(=O)(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 15/20 0.40
CYP3A4 P08684 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11A1 P05108 1/20 0.35
TBXAS1 P24557 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
NFKB1 P19838 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10342095 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL2450572 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL11023995 0.79 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP19A1TBXAS1LMNA
SCHEMBL9107623 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL23727719 0.77 NPSR1 (0.45) ALDH1A1CYP3A4LMNA
SCHEMBL214820 0.74 OPRD1 (0.50) ALDH1A1L3MBTL1CYP19A1LMNAGAA
SCHEMBL5468463 0.73 OPRM1 (0.41) ALDH1A1L3MBTL1NFKB1LMNA
SCHEMBL16357120 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL16786075 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL8503593 0.70 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP3A4GAA

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 6 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
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN 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 ALDH1A1 2019/4885L3MBTL1 4152/4885CYP19A1 2895/4885

“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.