SCHEMBL1676173

SCHEMBL1676173

O=C(O)CNc1ccc(Cn2cc(-c3c(Cl)cccc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.41
GCGR P47871 1/20 0.37
TRPM2 O94759 1/20 0.37
KIF11 P52732 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MME P08473 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL1676169 1.00 S1PR5 (0.41) S1PR5GCGRTRPM2KIF11SLC13A5
SCHEMBL1676822 0.92 S1PR5 (0.38) S1PR5GCGRTRPM2KIF11HDAC1
SCHEMBL1676825 0.92 S1PR5 (0.38) S1PR5GCGRTRPM2KIF11HDAC1
SCHEMBL1676146 0.88 MEN1 (0.44) S1PR5TRPM2EGLN1HDAC1HDAC6
SCHEMBL1676148 0.88 MEN1 (0.44) S1PR5TRPM2EGLN1HDAC1HDAC6
SCHEMBL1676016 0.87 S1PR5 (0.39) S1PR5GCGRTRPM2KIF11SLC13A5
SCHEMBL1676014 0.87 S1PR5 (0.39) S1PR5GCGRTRPM2KIF11SLC13A5
SCHEMBL1676333 0.83 MEN1 (0.51) S1PR5KIF11MAPTLMNANPSR1
SCHEMBL1676331 0.83 MEN1 (0.51) S1PR5KIF11MAPTLMNANPSR1
SCHEMBL1676245 0.82 GCGR (0.39) GCGREGLN1FFAR1

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE S1PR5 3261/4885GCGR 610/4885TRPM2 4470/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885GCGR 610/4885TRPM2 4470/4885

“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.