SCHEMBL205482

SCHEMBL205482

Cc1ccc(-c2csc(Nc3ccc(OC4CCCC4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
ALOX5 P09917 3/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 4/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40
KIT P10721 3/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
GAA P10253 2/20 0.39
RORC P51449 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL209144 0.90 P2RX3 (0.44) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL206355 0.89 P2RX3 (0.44) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL205538 0.87 VCP (0.43) P2RX3ALOX5CDK1VCP
SCHEMBL206223 0.86 MEN1 (0.53) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL205730 0.86 MCHR1 (0.40) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL206165 0.86 ALOX5 (0.49) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL205822 0.85 PTGS2 (0.56) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL205592 0.85 P2RX3 (0.42) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL207320 0.84 P2RX3 (0.46) P2RX3ALOX5MEN1KMT2ARAB9A
SCHEMBL207853 0.82 CDK1 (0.42) P2RX3MEN1KMT2ARAB9ANPC1

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 10 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-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 P2RX3 2027/4885ALOX5 3410/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 P2RX3 2027/4885ALOX5 3410/4885MEN1 3862/4885

“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.