SCHEMBL3593310

SCHEMBL3593310

N#Cc1c[nH]cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
KIF11 P52732 2/20 0.35
RXRA P19793 2/20 0.35
RXRG P48443 2/20 0.35
AR P10275 4/20 0.34
RXRB P28702 1/20 0.34
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
XDH P47989 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9458814 0.84 PRMT3 (0.50) CES2CTSSCTSKARPRMT3
SCHEMBL3914006 0.83 VCAM1 (0.40) KIF11XDHGPBAR1
SCHEMBL3990666 0.83 KIF11 (0.36) CES2CYP11B1CYP11B2KIF11RXRA
SCHEMBL11937874 0.83 KIF11 (0.50) CES2CYP11B1CYP11B2KIF11AR
SCHEMBL11937468 0.77 CHUK (0.34) CES2CYP11B1CYP11B2
SCHEMBL19903598 0.74 CYP11B1 (0.44) CES2CYP11B1CYP11B2CTSSCTSK
SCHEMBL15561230 0.73 PTGDR2 (0.46) CTSSCTSKKIF11ARXDH
SCHEMBL15561199 0.73 BIRC5 (0.44) CTSSCTSKAR
SCHEMBL3602750 0.73 S100A9 (0.40) CYP11B1CYP11B2
SCHEMBL19903442 0.72 TRPV4 (0.47) CES2CYP11B1CYP11B2CTSSCTSK

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
CN-101072773-B pyrrole derivatives having CRTH2 receptor antagonistic activity NOVARTIS AG 2011-01-19 CN disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
CN-101072773-A Pyrrole derivatives having CRTH2 receptor antagonistic activity NOVARTIS AG (CH) 2007-11-14 CN 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 CES2 3374/4885CYP11B1 1840/4885CYP11B2 827/4885

“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.