SCHEMBL6713396

SCHEMBL6713396

CCc1nc2ccc(C(C)=O)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.61
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
PPARG P37231 2/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ALB P02768 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6714863 0.97 PTGER4 (0.64) PTGER4CA12CA1CA2CA9
SCHEMBL1625152 0.94 PTGER4 (0.68) PTGER4CA12CA1CA2CA9
SCHEMBL1625139 0.88 PTGER4 (0.68) PTGER4CA12CA1CA2CA9
SCHEMBL1626365 0.87 PTGER4 (0.67) PTGER4CA12CA1CA2CA9
SCHEMBL1624962 0.85 PTGER4 (0.71) PTGER4CA12CA1CA2CA9
SCHEMBL1624960 0.83 PTGER4 (0.69) PTGER4CA12CA1CA2CA9
SCHEMBL1625183 0.83 PTGER4 (0.69) PTGER4CA12CA1CA2CA9
SCHEMBL1626658 0.83 PTGER4 (0.64) PTGER4CA12CA1CA2CA9
SCHEMBL1625965 0.82 PTGER4 (0.72) PTGER4CA12CA1CA2CA9
SCHEMBL1625894 0.82 PTGER4 (0.61) PTGER4CA12CA1CA2CA9

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
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 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 (3 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 PTGER4 1/4885CA12 4089/4885CA1 4549/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PTGER4 55/4885CA12 2132/4885CA1 2298/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 PTGER4 1/4885CA12 4111/4885CA1 2963/4885

“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.