SCHEMBL6174265

SCHEMBL6174265

Cc1nn(-c2ccc(CCN(C(=O)O)S(=O)(=O)c3ccccc3Cl)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 4/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6830539 0.92 LMNA (0.38) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL4443171 0.85 CNR2 (0.45) NPC1RAB9ASMN1; SMN2CYP1A2TP53
SCHEMBL6097218 0.80 CA1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL4444967 0.77 CYP1A2 (0.53) CYP1A2TP53LMNAAR
SCHEMBL6098396 0.76 CNR2 (0.43) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL6096840 0.75 CNR2 (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6099551 0.75 HTT (0.47) SMN1; SMN2HTTCYP1A2TP53MAPT
SCHEMBL6098633 0.74 CA1 (0.53) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL6097502 0.74 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL6098575 0.74 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR NPC1 2334/4885RAB9A 3940/4885SMN1; SMN2 4491/4885

“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.