SCHEMBL208689

SCHEMBL208689

CCCCCCCCOc1ccc(Nc2nc(-c3cnc(OC)nc3OC)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.42
▸ VCP P55072 3/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ ULK2 Q8IYT8 1/20 0.36
▸ PSEN1 P49768 3/20 0.35
▸ PSEN2 P49810 3/20 0.35
▸ APH1B Q8WW43 3/20 0.35
▸ NCSTN Q92542 3/20 0.35
▸ APH1A Q96BI3 3/20 0.35
▸ PSENEN Q9NZ42 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL205759 0.88 ALOX5 (0.44) S1PR1ALOX5PTGS2PRMT5WDR77
SCHEMBL250067 0.84 VCP (0.54) S1PR1VCPNTSR1ALOX5PTGS2
SCHEMBL206616 0.83 VCP (0.39) VCPNTSR1ALOX5PTGS2PRMT5
SCHEMBL205657 0.83 KMT2A (0.47) S1PR1VCPALOX5PTGS2PSEN1
SCHEMBL206521 0.82 VCP (0.44) S1PR1VCPNTSR1ALOX5PRMT5
SCHEMBL208681 0.82 ALOX5 (0.46) S1PR1ALOX5PTGS2PRMT5WDR77
SCHEMBL208365 0.82 S1PR1 (0.44) S1PR1VCPNTSR1ALOX5PTGS2
SCHEMBL207312 0.81 S1PR1 (0.49) S1PR1VCPNTSR1ALOX5MEN1
SCHEMBL206927 0.81 S1PR1 (0.47) S1PR1VCPNTSR1ALOX5MEN1
SCHEMBL3130311 0.81 ALOX5 (0.44) VCPALOX5PTGS2ULK1ULK2

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 S1PR1 1259/4885VCP 1270/4885NTSR1 2099/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885VCP 1270/4885NTSR1 2099/4885

“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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