SCHEMBL207086

SCHEMBL207086

CCCCCCC#Cc1ccc(Nc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.42
NTSR1 P30989 1/20 0.42
ALOX5 P09917 6/20 0.37
PTGS2 P35354 4/20 0.37
CYP1B1 Q16678 4/20 0.37
CYP1A1 P04798 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.35
RECQL P46063 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL208059 0.84 MEN1 (0.52) VCPCYP1B1CYP1A1CYP1A2MEN1
SCHEMBL205759 0.84 ALOX5 (0.44) ALOX5PTGS2CYP1B1CYP1A1CYP1A2
SCHEMBL207601 0.84 S1PR1 (0.41) VCPNTSR1ALOX5PTGS2CYP1B1
SCHEMBL2755709 0.84 S1PR1 (0.41) VCPNTSR1ALOX5PTGS2CYP1B1
SCHEMBL2696920 0.82 ALOX5 (0.39) VCPNTSR1ALOX5PTGS2CYP1B1
SCHEMBL3130311 0.82 ALOX5 (0.44) VCPALOX5PTGS2CYP1B1CYP1A1
SCHEMBL208181 0.82 ALOX5 (0.38) VCPNTSR1ALOX5PTGS2CYP1B1
SCHEMBL3130357 0.81 ALOX5 (0.45) VCPALOX5PTGS2CYP1B1CYP1A1
SCHEMBL207908 0.79 CA12 (0.44) ALOX5MEN1KMT2AGAAMAPT
SCHEMBL205880 0.75 MAPT (0.42) VCPALOX5PTGS2CYP1B1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 VCP 1270/4885NTSR1 2099/4885ALOX5 3410/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885NTSR1 2099/4885ALOX5 3410/4885

“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.