SCHEMBL208291

SCHEMBL208291

CCCCCCCCN(C)c1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
MAPT P10636 9/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPK1 P28482 3/20 0.57
HTT P42858 3/20 0.57
GAA P10253 2/20 0.57
RAB9A P51151 6/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SYK P43405 1/20 0.41

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
SCHEMBL204308 0.86 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2698212 0.85 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5425329 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2697537 0.81 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2697038 0.81 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL206273 0.80 HSPD1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2698387 0.80 ALOX5 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2706117 0.80 CFTR (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2695728 0.80 ALOX5 (0.53) MAPTMEN1KMT2AMAPK1CYP3A4
SCHEMBL206861 0.79 ALOX5 (0.39) MAPTSMN1; SMN2MEN1KMT2AMAPK1

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 ALDH1A1 109/4885MAPT 2207/4885SMN1; SMN2 3252/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MAPT 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.