SCHEMBL250114

SCHEMBL250114

CCCCCCCCOc1ccc(Nc2nc(-c3cccc(O)c3)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 6/20 0.65
▸ ALOX5 P09917 5/20 0.59
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ MAPT P10636 6/20 0.51
▸ GAA P10253 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ AMY1A P0DUB6 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50

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
SCHEMBL250576 1.00 VCP (0.65) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL251751 0.88 CSNK2A1 (0.63) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL250739 0.88 CSNK2A1 (0.63) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL249562 0.87 ALOX5 (0.77) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL207091 0.87 RAB9A (0.66) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL251408 0.87 HSPD1 (0.60) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL251233 0.87 HSPD1 (0.60) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL1819321 0.84 RAB9A (0.70) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL206286 0.83 RAB9A (0.60) VCPALOX5MEN1KMT2ARAB9A
SCHEMBL206383 0.83 RAB9A (0.60) VCPALOX5MEN1KMT2ARAB9A

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-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 VCP 1270/4885ALOX5 3410/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885ALOX5 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.

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