SCHEMBL208234

SCHEMBL208234

CCCCCOc1ccc(Nc2nc(-c3cncnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
ALOX5 P09917 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
KIT P10721 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
VCP P55072 2/20 0.38
NTSR1 P30989 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL207329 0.99 S1PR1 (0.45) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL204744 0.90 MAPT (0.48) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL204452 0.90 MEN1 (0.57) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL204857 0.90 S1PR1 (0.47) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL206765 0.89 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL206853 0.89 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL207991 0.89 ALOX5 (0.45) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL207192 0.89 S1PR1 (0.47) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL3124460 0.88 S1PR1 (0.45) S1PR1MEN1KMT2ARAB9ANPC1
SCHEMBL205759 0.88 ALOX5 (0.44) S1PR1MEN1KMT2ARAB9ANPC1

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 9 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-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-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
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 S1PR1 1259/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885MEN1 3862/4885KMT2A 3476/4885

“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.