SCHEMBL2029967

SCHEMBL2029967

CCCCCNS(=O)(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FKBP1A P62942 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
SCHEMBL21361488 0.94 ALDH1A1 (0.49) PPARAALDH1A1GAACA1CA2
SCHEMBL28869534 0.92 CA1 (0.50) PPARAALDH1A1GAACA1CA2
SCHEMBL16508745 0.84 CA1 (0.46) PPARAALDH1A1GAACA1CA2
SCHEMBL2361421 0.82 GNAI3 (0.49) PPARACA1CA2CA12CA7
SCHEMBL24437830 0.81 ALDH1A1 (0.37) ALDH1A1GAACA1CA2TSHR
SCHEMBL24437822 0.81 ALDH1A1 (0.37) ALDH1A1GAACA1CA2TSHR
SCHEMBL28933820 0.80 CA1 (0.46) PPARAALDH1A1GAACA1CA2
SCHEMBL21359124 0.79 CA1 (0.41) ALDH1A1GAACA1CA2TSHR
SCHEMBL18024028 0.78 ALDH1A1 (0.45) ALDH1A1GAACA1CA2TSHR
SCHEMBL5889230 0.78 CA1 (0.47) PPARAALDH1A1GAACA1CA2

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
WO-2022101453-A1 COMPOUNDS AND METHODS FOR TREATING A CYTOKINE-MEDIATED DISEASE Conservatoire National des Arts et Métiers (FR) 2022-05-19 WO disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO disclosed
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073277-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A PPARA 3895/4885ALDH1A1 987/4885GAA 4084/4885

“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.