SCHEMBL6620786

SCHEMBL6620786

Cc1ccc(C)n1-c1cccc(-c2ccc(C(C)C(=O)O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.49
PTGS1 P23219 3/20 0.49
MAP3K5 Q99683 1/20 0.45
DGAT1 O75907 2/20 0.41
SOAT1 P35610 1/20 0.41
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
CXCL8 P10145 1/20 0.37
CXCR1 P25024 1/20 0.37

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
SCHEMBL6621303 0.81 KDM4E (0.50) ESR1RARB
SCHEMBL2969912 0.78 RAB9A (0.54) LMNAHTR2A
SCHEMBL6619783 0.77 JAK1 (0.36) LMNA
SCHEMBL6620028 0.77 KLKB1 (0.54) PTGS1MAP3K5DGAT1LMNA
SCHEMBL6696955 0.74 RAB9A (0.42) PTGS2LMNA
SCHEMBL6618761 0.73 KDM4E (0.38) LMNA
SCHEMBL6701320 0.72 KDM4E (0.37) LMNA
SCHEMBL6620780 0.72 PTGS2 (0.53) PTGS2PTGS1MAP3K5DGAT1SOAT1
SCHEMBL9848050 0.72 MAPT (0.47) LMNACYP2C9
SCHEMBL1177114 0.70 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2SLC22A6

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
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 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 (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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 PTGS2 31/4885PTGS1 46/4885MAP3K5 724/4885

“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.