SCHEMBL204432

SCHEMBL204432

CCCCCOc1ccc(Nc2ncc(-c3ccccc3)s2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.48
S1PR1 P21453 4/20 0.48
S1PR4 O95977 1/20 0.47
S1PR5 Q9H228 1/20 0.47
P2RY1 P47900 1/20 0.41
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
DHODH Q02127 2/20 0.41
ABCC1 P33527 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2703731 0.94 S1PR1 (0.45) KDRS1PR1S1PR4S1PR5P2RY1
SCHEMBL10190267 0.91 KDR (0.46) KDRS1PR1S1PR4S1PR5
SCHEMBL3131550 0.91 S1PR1 (0.47) KDRS1PR1S1PR4S1PR5
SCHEMBL10190269 0.85 S1PR1 (0.46) S1PR1S1PR4S1PR5MAPTKMT2A
SCHEMBL205403 0.83 S1PR1 (0.48) KDRS1PR1S1PR4S1PR5ABCB1
SCHEMBL205519 0.83 S1PR1 (0.44) S1PR1ABCB1ABCG2DHODHABCC1
SCHEMBL207599 0.83 S1PR1 (0.56) S1PR1S1PR4S1PR5DHODHKDM4E
SCHEMBL4218812 0.82 S1PR1 (0.50) S1PR1S1PR4S1PR5ABCB1ABCG2
SCHEMBL208472 0.80 S1PR1 (0.52) S1PR1S1PR4S1PR5DHODHKDM4E
SCHEMBL2697750 0.79 S1PR1 (0.52) S1PR1S1PR4S1PR5KDM4EMEN1

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 KDR 4230/4885S1PR1 1259/4885S1PR4 2663/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KDR 4230/4885S1PR1 1259/4885S1PR4 2663/4885

“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.