SCHEMBL209144

SCHEMBL209144

CNc1ccc(-c2csc(Nc3ccc(OC4CCCC4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
ALOX5 P09917 3/20 0.41
KDR P35968 2/20 0.39
CDK2 P24941 1/20 0.39
RORC P51449 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CDK1 P06493 1/20 0.38
TYRO3 Q06418 1/20 0.38
VCP P55072 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KCNH2 Q12809 1/20 0.37
LRRK2 Q5S007 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL205482 0.90 P2RX3 (0.46) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL206355 0.87 P2RX3 (0.44) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL205538 0.85 VCP (0.43) P2RX3ALOX5CDK1VCP
SCHEMBL206165 0.85 ALOX5 (0.49) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL205822 0.84 PTGS2 (0.56) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL205592 0.84 P2RX3 (0.42) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL206223 0.83 MEN1 (0.53) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL207320 0.83 P2RX3 (0.46) P2RX3MAPTMEN1KMT2ARAB9A
SCHEMBL207455 0.82 S1PR1 (0.43) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL206105 0.81 S1PR1 (0.45) MAPTMEN1KMT2ARAB9AGAA

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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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-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 2027/4885MAPT 2207/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 P2RX3 2027/4885MAPT 2207/4885MEN1 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.