SCHEMBL205677

SCHEMBL205677

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3)c(F)s2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
DHODH Q02127 2/20 0.42
CHRNA7 P36544 1/20 0.41
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 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
SCHEMBL208285 0.99 DHODH (0.42) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3127660 0.93 DHODH (0.40) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3128137 0.92 DHODH (0.41) S1PR1DHODHCHRNA7CCNA2CDK2
SCHEMBL205994 0.91 S1PR1 (0.43) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3117443 0.91 DHODH (0.39) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3117452 0.91 DHODH (0.39) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL206228 0.91 DHODH (0.43) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL206632 0.91 S1PR1 (0.44) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3124573 0.89 CHRNA7 (0.52) S1PR1DHODHCHRNA7S1PR4S1PR5
SCHEMBL3119258 0.89 DHODH (0.39) S1PR1DHODHCHRNA7CCNA2CDK2

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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-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 1259/4885DHODH 1219/4885CHRNA7 4750/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885DHODH 1219/4885CHRNA7 4750/4885

“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.