Sugi Predict

Sugi Predict / Compounds / SCHEMBL205840

SCHEMBL205840

SCHEMBL205840

OCc1cc2cc(-c3csc(Nc4ccc(OCC5CCCCC5)c(C(F)(F)F)c4)n3)ccc2o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 15/20 0.37
▸ SPHK2 Q9NRA0 14/20 0.37
▸ NTSR1 P30989 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL206695 0.83 S1PR1 (0.41) SPHK2NTSR1VCPALOX5CYP1A1
SCHEMBL208301 0.82 PTGS2 (0.45) SPHK1SPHK2VCPALOX5CYP1A1
SCHEMBL204691 0.81 CFTR (0.52) SPHK1SPHK2VCPALOX5MEN1
SCHEMBL206964 0.79 MEN1 (0.50) VCPCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL206524 0.79 ALOX5 (0.48) SPHK1SPHK2VCPALOX5CYP1A1
SCHEMBL207098 0.78 VCP (0.42) SPHK1SPHK2NTSR1VCP
SCHEMBL208052 0.77 NPY5R (0.44) SPHK1SPHK2NTSR1VCPALOX5
SCHEMBL205441 0.76 PTGS2 (0.55) VCPALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL206276 0.76 MPL (0.38) SPHK1SPHK2NTSR1VCPALOX5
SCHEMBL204453 0.76 SPHK2 (0.41) SPHK1SPHK2NTSR1VCPMEN1

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 SPHK1 3353/4885SPHK2 4034/4885NTSR1 2099/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK1 3353/4885SPHK2 4034/4885NTSR1 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.