SCHEMBL2696403

SCHEMBL2696403

O=C1COc2ccc(-c3csc(Nc4ccc(OC5CCCC5)c(C(F)(F)F)c4)n3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
MAPT P10636 9/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 3/20 0.60
HTT P42858 2/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.43
SYK P43405 1/20 0.43
P2RX3 P56373 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
SCHEMBL2694863 0.87 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL207924 0.86 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2696390 0.84 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2698212 0.83 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL204308 0.83 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL207320 0.80 P2RX3 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL206165 0.80 ALOX5 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL209144 0.78 P2RX3 (0.44) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL205482 0.78 P2RX3 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL205822 0.78 PTGS2 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 7 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-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.