SCHEMBL962198

SCHEMBL962198

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cc(C#N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.36
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
NPY5R Q15761 1/20 0.32
USP14 P54578 1/20 0.31
CDC7 O00311 1/20 0.31
HDAC1 Q13547 1/20 0.31
TBXA2R P21731 4/20 0.31
ADORA2A P29274 1/20 0.30
RORC P51449 1/20 0.30
ALB P02768 1/20 0.30

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
SCHEMBL962196 1.00 CXCR2 (0.36) CXCR2USP2ALDH1A1POLBMAPT
SCHEMBL965547 0.90 HDAC1 (0.33) MAPTHDAC1
SCHEMBL965545 0.90 HDAC1 (0.33) MAPTHDAC1
SCHEMBL965767 0.88 PPARG (0.38) FFAR4IRAK4CDC7TBXA2RRORC
SCHEMBL965770 0.88 PPARG (0.38) FFAR4IRAK4CDC7TBXA2RRORC
SCHEMBL965585 0.88 MAPT (0.36) MAPTHDAC1
SCHEMBL965582 0.88 MAPT (0.36) MAPTHDAC1
SCHEMBL966100 0.88 HDAC1 (0.33) CXCR2ALDH1A1HDAC1
SCHEMBL966102 0.88 HDAC1 (0.33) CXCR2ALDH1A1HDAC1
SCHEMBL28782015 0.87 FFAR4 (0.32) USP2ALDH1A1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CXCR2 1673/4885USP2 4346/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CXCR2 1857/4885USP2 4289/4885ALDH1A1 821/4885

“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.