SCHEMBL1481499

SCHEMBL1481499

CCn1cc(-c2cccc(C(F)(F)F)c2)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CXCR1 P25024 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PPARA Q07869 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
FAAH O00519 2/20 0.37
F2RL3 Q96RI0 1/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
P2RY12 Q9H244 2/20 0.36

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
SCHEMBL1480943 1.00 TLR8 (0.41) TLR8CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1481360 0.92 PPARA (0.42) TLR8CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1481491 0.92 PPARA (0.42) TLR8CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1480838 0.91 PPARA (0.46) TLR8CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1480835 0.91 PPARA (0.46) TLR8CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1480408 0.90 LTB4R (0.41) PPARAFAAHPDE3BPDE3AP2RY12
SCHEMBL1480406 0.90 LTB4R (0.41) PPARAFAAHPDE3BPDE3AP2RY12
SCHEMBL1481613 0.88 LTB4R (0.44) PPARAFAAHPDE3BPDE3AP2RY12
SCHEMBL1481616 0.88 LTB4R (0.44) PPARAFAAHPDE3BPDE3AP2RY12
SCHEMBL1481429 0.85 HDAC6 (0.45) TLR8PPARAPPARGPPARDPDE3B

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ TLR8 2695/4885CHRNB2 4690/4885CHRNB4 4774/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ TLR8 2695/4885CHRNB2 4690/4885CHRNB4 4774/4885

“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.