SCHEMBL7781759

SCHEMBL7781759

CSc1ccc(CC#N)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4128552 0.83 ENPP2 (0.35) ENPP2KDM4ETDP1MMP3L3MBTL1
SCHEMBL11197988 0.80
SCHEMBL3272193 0.72 SLC6A4 (0.47) KMT2A
SCHEMBL5181553 0.72 IDO1 (0.41) KDM4ETDP1HPGD
SCHEMBL5181545 0.72 SLC6A4 (0.31) KDM4ETDP1HPGD
SCHEMBL2090990 0.72 HPGD (0.31) KDM4ETDP1KMT2AHPGD
SCHEMBL7786392 0.72 TTR (0.33) KDM4ETDP1HPGD
SCHEMBL11193422 0.72 SLC6A4 (0.31) KDM4ETDP1HPGD
SCHEMBL2090992 0.72 ALDH1A1 (0.38) ENPP2
SCHEMBL3022641 0.71 ENPP2 (0.49) ENPP2KDM4ETDP1MMP3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH ENPP2 2773/4885KDM4E 1379/4885TDP1 1340/4885

“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.