SCHEMBL351737

SCHEMBL351737

O=C(O)c1csc2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
CYP2A6 P11509 1/20 0.46
KDM4C Q9H3R0 10/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM6B O15054 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4D Q6B0I6 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4A O75164 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL10860925 0.86 CYP2A6 (0.63) TBXAS1CYP2A6KDM4CALDH1A1KDM6B
SCHEMBL15573652 0.84 CYP2A6 (0.45) TBXAS1CYP2A6KDM4CALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8882792 0.83 CYP2A6 (0.51) CYP2A6KDM4CALDH1A1KDM6BKDM4E
Hydrochloric Acid SCHEMBL8881790 0.83 CYP2A6 (0.51) CYP2A6KDM4CALDH1A1KDM6BKDM4E
SCHEMBL1292098 0.77 RPS6KB1 (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL72502 0.73 HDAC3 (0.65) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL23022152 0.73 CYP2A6 (0.43) CYP2A6ALDH1A1KDM4EMAPTGLA
SCHEMBL10857605 0.73 DHODH (0.41) KDM4CALDH1A1KDM6BKDM4EKDM4D
Hydrochloric Acid SCHEMBL4254555 0.72 HDAC3 (0.62) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL25393167 0.71 TDP1 (0.46) TBXAS1CYP2A6KDM4CALDH1A1KDM6B

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
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
EP-3749658-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
WO-2019154949-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TBXAS1 366/4885CYP2A6 3944/4885KDM4C 3706/4885

“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.