SCHEMBL205530

SCHEMBL205530

COc1ncc(-c2csc(Nc3ccc(OCCCCc4ccc(C)cc4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 5/20 0.42
GAA P10253 3/20 0.42
ALOX5 P09917 2/20 0.41
NPC1 O15118 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MCHR1 Q99705 1/20 0.38
AMY1A P0DUB6 1/20 0.38
NAMPT P43490 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PTGES O14684 1/20 0.37
LMNA P02545 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
SCHEMBL208826 0.93 MCHR1 (0.43) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL206274 0.90 MCHR1 (0.44) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL3119845 0.89 PTGS2 (0.43) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL205759 0.87 ALOX5 (0.44) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL205831 0.86 MEN1 (0.52) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL207865 0.85 MEN1 (0.48) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL205565 0.83 MCHR1 (0.42) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL205880 0.82 MAPT (0.42) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL206980 0.81 ALOX5 (0.40) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL3130357 0.81 ALOX5 (0.45) PTGS2MEN1KMT2AMAPTRAB9A

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 PTGS2 3352/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885MEN1 3862/4885KMT2A 3476/4885

“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.