SCHEMBL6724766

SCHEMBL6724766

C#CCCCCS([O])(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LYPLA1 O75608 1/20 0.32
LYPLA2 O95372 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6726911 0.92
SCHEMBL3477097 0.82 ALDH1A1 (0.43) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL6725195 0.80
SCHEMBL6724770 0.77 APP (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL34468810 0.77 CYP1A2 (0.38) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9365663 0.75 CYP2C19 (0.46) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9256535 0.75 CYP2C19 (0.46) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9253225 0.75 CYP2C19 (0.46) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL30934054 0.75 CYP2C19 (0.46) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9366283 0.75 CYP2C19 (0.46) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CYP1A2 32/4885CYP2D6 354/4885MAPT 4497/4885

“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.