SCHEMBL206168

SCHEMBL206168

CCCCCOc1ccc(Nc2nc(Cc3ccc(Cl)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX5 P09917 4/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
P2RX3 P56373 2/20 0.38
VCP P55072 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRA P10827 1/20 0.36

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
SCHEMBL205428 0.99 S1PR1 (0.44) S1PR1MAPTSMN1; SMN2ALDH1A1ALOX5
SCHEMBL205547 0.92 S1PR1 (0.43) S1PR1MAPTALDH1A1MEN1KMT2A
SCHEMBL205616 0.91 S1PR1 (0.44) S1PR1MAPTALDH1A1MEN1KMT2A
SCHEMBL207822 0.91 S1PR1 (0.46) S1PR1MAPTALDH1A1MEN1KMT2A
SCHEMBL206499 0.90 S1PR1 (0.42) S1PR1MAPTSMN1; SMN2ALDH1A1ALOX5
SCHEMBL205571 0.90 S1PR1 (0.42) S1PR1MAPTALDH1A1MEN1KMT2A
SCHEMBL205682 0.89 S1PR1 (0.43) S1PR1MAPTSMN1; SMN2ALDH1A1ALOX5
SCHEMBL205536 0.89 S1PR1 (0.43) S1PR1MAPTALDH1A1MEN1KMT2A
SCHEMBL207331 0.88 MAPT (0.46) S1PR1MAPTSMN1; SMN2ALDH1A1ALOX5
SCHEMBL206820 0.86 S1PR1 (0.48) S1PR1MAPTALDH1A1MEN1KMT2A

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 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 1259/4885MAPT 2207/4885SMN1; SMN2 3252/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885MAPT 2207/4885SMN1; SMN2 3252/4885

“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.