SCHEMBL18935488

SCHEMBL18935488

CCCC(C)(C)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KIF11 P52732 1/20 0.41
PTGS2 P35354 5/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL18935606 0.86 CNR2 (0.53) PTGS2CNR2
SCHEMBL19593059 0.85 ESR1 (0.43) ENPP2EPHX2NR1H4KIF11PTGS2
SCHEMBL10181070 0.84 ENPP2 (0.45) ENPP2EPHX2NR1H4KIF11PTGS2
SCHEMBL22021413 0.83 CA2 (0.52) KIF11
SCHEMBL19322102 0.81 PTGS2 (0.55) KIF11PTGS2
SCHEMBL22292144 0.81 ESR1 (0.41) ENPP2EPHX2NR1H4KIF11PTGS2
SCHEMBL13634517 0.79 PTGS2 (0.45) ENPP2EPHX2NR1H4KIF11PTGS2
SCHEMBL25005768 0.79 KIF11 (0.47) KIF11ALDH1A1
SCHEMBL23666309 0.78 ENPP2 (0.43) ENPP2EPHX2NR1H4KIF11PTGS2
SCHEMBL19593033 0.76 ENPP2 (0.45) ENPP2EPHX2NR1H4KIF11PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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 (2 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 ENPP2 4520/4885EPHX2 2171/4885NR1H4 51/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB ENPP2 227/4885EPHX2 1907/4885NR1H4 1728/4885

“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.