SCHEMBL4946548

SCHEMBL4946548

CS(=O)(=O)Cc1cc2ccccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE10A Q9Y233 3/20 0.43
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ MTOR P42345 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL1273157 0.83 ATM (0.50) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL1272666 0.82 ATM (0.45) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL19296329 0.77 ALOX5AP (0.33) ATMPOLBALDH1A1MTORPTGS2
SCHEMBL6598600 0.75 ATM (0.51) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL873512 0.75 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL4943060 0.74 KDM4E (0.43) CYP1A2POLBALDH1A1MTORNPC1
SCHEMBL1273156 0.72 ATM (0.50) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL6114924 0.72 ATM (0.57) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL9569979 0.72 ATM (0.57) CYP1A2CYP2A6PDPK1ATML3MBTL1
SCHEMBL1271297 0.71 PDE10A (0.58) CYP1A2PDE10APOLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 — — US claimed

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-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB CYP1A2 3666/4885CYP2A6 1690/4885PDPK1 2154/4885

“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.

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