SCHEMBL1704018

SCHEMBL1704018

COc1cccc(-c2oc(-c3nn(Cc4nc(C(C)(F)F)cs4)nc3C(N)=O)nc2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
FPR2 P25090 3/20 0.38
RIPK2 O43353 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
LDHA P00338 1/20 0.35
HSD17B10 Q99714 2/20 0.35
VDR P11473 2/20 0.35
PPARD Q03181 1/20 0.35
LMNA P02545 2/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PIN1 Q13526 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL1704592 0.90 FPR2 (0.37) FPR2KDM4EPIN1ALDH1A1
SCHEMBL1703850 0.90 FPR2 (0.42) FPR2RIPK2KMT2ARXRARXRB
SCHEMBL1703980 0.90 PTGER1 (0.35) IKBKBFPR2HSD17B10ADORA2AKDM4E
SCHEMBL1704152 0.89 IKBKB (0.40) IKBKBFPR2KMT2ARXRARXRB
SCHEMBL1704368 0.88 LRRK2 (0.34) FPR2
SCHEMBL2324749 0.88 IKBKB (0.46) IKBKBFPR2RIPK2KMT2ARXRA
SCHEMBL1703858 0.85 RAB9A (0.33) IKBKBFPR2LDHAKDM4E
SCHEMBL1704159 0.84 IKBKB (0.44) IKBKBFPR2RIPK2KMT2ARXRA
SCHEMBL2131068 0.83 IKBKB (0.43) IKBKBFPR2RIPK2KMT2ARXRA
SCHEMBL2326938 0.82 LDHA (0.39) IKBKBFPR2LDHAADORA2A

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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP 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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 IKBKB 4277/4885FPR2 217/4885RIPK2 4400/4885

“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.