SCHEMBL3462293

SCHEMBL3462293

Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
KDM4E B2RXH2 1/20 0.71
APEX1 P27695 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
LMNA P02545 4/20 0.52
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
PTGS2 P35354 1/20 0.44
AR P10275 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3461959 0.84 LMNA (0.56) POLBKDM4EAPEX1TDP1LMNA
Benzene SCHEMBL28024132 0.83 POLB (1.00) POLBKDM4EAPEX1TDP1LMNA
SCHEMBL3066671 0.83 POLB (1.00) POLBKDM4EAPEX1TDP1LMNA
SCHEMBL23595909 0.76 KMT2A (0.55) HTTTP53KMT2AMAPK1MEN1
SCHEMBL19661666 0.75 CYP1A2 (0.53) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27950463 0.75 LMNA (0.50) POLBKDM4EAPEX1TDP1LMNA
SCHEMBL2857382 0.74 LMNA (0.53) POLBTDP1LMNACYP1A2CYP2C9
SCHEMBL24114832 0.73 LMNA (0.55) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL11652228 0.73 SMN1; SMN2 (0.68) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19120569 0.73 CYP1A2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B POLB 2425/4885KDM4E 671/4885APEX1 4788/4885

“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.