SCHEMBL4205688

SCHEMBL4205688

Fc1ccc(SSc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PTPN11 Q06124 1/20 0.35
TRPA1 O75762 2/20 0.35
AR P10275 5/20 0.33
HCAR1 Q9BXC0 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PDE7A Q13946 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14950712 0.83 IDO1 (0.42) IDO1PTPN11TRPA1ARHCAR1
SCHEMBL4209652 0.77 KDM1A (0.46) HCAR1PDE7AGLAPOLBGAA
SCHEMBL7601736 0.75 IDO1 (0.50) IDO1TRPA1ARHCAR1GLA
SCHEMBL29572246 0.74 IDO1 (0.48) IDO1
SCHEMBL3920564 0.74 IDO1 (0.48) IDO1
SCHEMBL14937723 0.74 IDO1 (0.39) IDO1MRGPRX4TSHR
SCHEMBL29775945 0.73 IDO1 (0.48) IDO1AR
SCHEMBL7265211 0.73 IDO1 (0.48) IDO1AR
SCHEMBL29708357 0.71 IDO1 (0.47) IDO1TRPA1ARHCAR1MRGPRX4
SCHEMBL695658 0.71 IDO1 (0.47) IDO1TRPA1ARHCAR1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation PFIZER INC 2009-08-27 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
US-20090209577-A1 Novel Triazolopyridine Compounds PFIZER INC. (US) 2009-08-20 US disclosed
EP-1786811-A2 TRIAZOLOPYRIDINE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2007-05-23 EP disclosed
EP-1781655-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006018735-A2 TRIAZOLOPYRIDINE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 WO disclosed
WO-2006018727-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 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 (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-20090209577-A1 Novel Triazolopyridine Compounds MAP3K2, MAP3K5, MAP3K9 IDO1 1182/4885PTPN11 899/4885TRPA1 349/4885
US-20090215817-A1 Novel Triazolopyridine Compounds for the Treatment of Inflammation TNF, MAP3K2, MAP3K5 IDO1 741/4885PTPN11 978/4885TRPA1 249/4885

“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.