Sugi Predict

Sugi Predict / Compounds / SCHEMBL205324

SCHEMBL205324

SCHEMBL205324

CCCCCOc1ccc(Nc2nc(CN3CCC(CO)CC3)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.41
▸ DCPS Q96C86 1/20 0.39
▸ SPHK2 Q9NRA0 3/20 0.39
▸ SPHK1 Q9NYA1 2/20 0.39
▸ CTSS P25774 7/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 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
SCHEMBL207106 0.92 S1PR1 (0.42) S1PR1DCPSSPHK2SPHK1MEN1
SCHEMBL251396 0.91 S1PR1 (0.40) S1PR1DCPSSPHK2SPHK1CTSS
SCHEMBL205648 0.90 S1PR1 (0.46) S1PR1DCPSSPHK2CTSSMEN1
SCHEMBL248376 0.89 SPHK1 (0.40) S1PR1DCPSSPHK2SPHK1MEN1
SCHEMBL205226 0.89 S1PR1 (0.45) S1PR1DCPSSPHK2MEN1ALDH1A1
SCHEMBL205942 0.89 CDK4 (0.41) S1PR1SPHK2SPHK1MEN1ALDH1A1
SCHEMBL204378 0.88 S1PR1 (0.42) S1PR1SPHK2SPHK1CTSSMEN1
SCHEMBL208550 0.88 NTRK1 (0.43) S1PR1SPHK2CTSS
SCHEMBL2696943 0.87 S1PR1 (0.39) S1PR1SPHK2SPHK1THRATHRB
SCHEMBL204766 0.87 RAB9A (0.44) S1PR1SPHK2MEN1KMT2A

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 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 1259/4885DCPS 3844/4885SPHK2 4034/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885DCPS 3844/4885SPHK2 4034/4885

“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.