SCHEMBL6177112

SCHEMBL6177112

CCc1nc(C(C)(C)C)cn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA12 O43570 6/20 0.55
CA9 Q16790 6/20 0.55
PTGER4 P35408 3/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
HTR2A P28223 2/20 0.50
CYP2C19 P33261 2/20 0.50
THRB P10828 1/20 0.50
NFKB1 P19838 1/20 0.50
ADRA1A P35348 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.47
CNR1 P21554 1/20 0.41
PPARG P37231 2/20 0.41
NLRP3 Q96P20 2/20 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
SCHEMBL4450390 0.85 CA2 (0.52) CA1CA2CA12CA9PTGER4
SCHEMBL6171430 0.84 CA2 (0.51) CA1CA2CA12CA9PTGER4
SCHEMBL6178493 0.83 PTGER4 (0.51) CA1CA2CA12CA9PTGER4
SCHEMBL6177236 0.83 CA2 (0.50) CA1CA2CA12CA9PTGER4
SCHEMBL6174713 0.81 CA2 (0.48) CA1CA2CA12CA9PTGER4
SCHEMBL6331723 0.81 CA2 (0.48) CA1CA2CA12CA9PTGER4
SCHEMBL27600253 0.80 PTGER4 (0.57) CA1CA2CA12CA9PTGER4
SCHEMBL4446894 0.79 PTGER4 (0.58) CA1CA2CA12CA9PTGER4
SCHEMBL27894307 0.77 PTGER4 (0.58) CA1CA2CA12CA9PTGER4
SCHEMBL6178692 0.77 CA2 (0.44) CA1CA2PTGER4ALDH1A1LMNA

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
EP-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 US disclosed
WO-2003086390-A1 IMIDAZOLE 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES CA1 2155/4885CA2 608/4885CA12 2272/4885

“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.