SCHEMBL1271309

SCHEMBL1271309

O=S(=O)(Cc1cccnc1)[C](F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.49
FDPS P14324 4/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRNA7 P36544 1/20 0.43
TBXAS1 P24557 1/20 0.42
BTN3A1 O00481 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL496895 0.79 NAPRT (0.53) NAPRTFDPSCYP1A2CYP2D6RECQL
SCHEMBL27468836 0.79 CYP1A2 (0.52) NAPRTFDPSCYP1A2CYP2D6RECQL
Hydrochloric Acid SCHEMBL28239696 0.76 NAPRT (0.46) NAPRTFDPSCYP1A2CYP2D6RECQL
SCHEMBL4881403 0.76 CA2 (0.57) NAPRTCYP1A2CYP2D6RECQLCYP3A4
SCHEMBL1271314 0.76 CHRNB2 (0.50) NAPRTCYP1A2CYP2D6CHRNA7TBXAS1
SCHEMBL29493165 0.76 CA2 (0.57) NAPRTCYP1A2CYP2D6RECQLCYP3A4
SCHEMBL1457306 0.76 NAPRT (0.48) NAPRTFDPSCYP1A2CYP2D6RECQL
SCHEMBL1271313 0.76 NAPRT (0.48) NAPRTFDPSCYP1A2CYP2D6RECQL
SCHEMBL16914898 0.75 CA2 (0.61) NAPRTFDPSCYP1A2CYP2D6RECQL
SCHEMBL1271311 0.75 NAPRT (0.49) NAPRTFDPSCYP1A2CYP2D6RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP claimed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US claimed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US claimed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US claimed
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US disclosed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 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-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB NAPRT 3540/4885FDPS 961/4885CYP1A2 3666/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB NAPRT 3540/4885FDPS 961/4885CYP1A2 3666/4885

“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.