Sugi Predict

Sugi Predict / Compounds / SCHEMBL250075

SCHEMBL250075

SCHEMBL250075

CCCCCOc1ccc(Nc2nc(CN3CCC(C(C)(C)N)C3)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.41
▸ SPHK2 Q9NRA0 3/20 0.38
▸ S1PR4 O95977 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ CTSS P25774 3/20 0.33
▸ DCPS Q96C86 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL206395 0.91 S1PR4 (0.38) S1PR1S1PR4S1PR5SPHK1DCPS
SCHEMBL205942 0.89 CDK4 (0.41) S1PR1SPHK2S1PR4S1PR5SPHK1
SCHEMBL2696943 0.89 S1PR1 (0.39) S1PR1SPHK2SPHK1SCN1ASCN8A
SCHEMBL251396 0.88 S1PR1 (0.40) S1PR1SPHK2SPHK1CTSSDCPS
SCHEMBL207106 0.87 S1PR1 (0.42) S1PR1SPHK2SPHK1DCPSMEN1
SCHEMBL251181 0.87 LMNA (0.43) S1PR1SPHK2MCHR1
SCHEMBL205648 0.87 S1PR1 (0.46) S1PR1SPHK2S1PR5CTSSDCPS
SCHEMBL205324 0.86 S1PR1 (0.41) S1PR1SPHK2SPHK1CTSSDCPS
SCHEMBL204378 0.85 S1PR1 (0.42) S1PR1SPHK2S1PR4S1PR5SPHK1
SCHEMBL208550 0.84 NTRK1 (0.43) S1PR1SPHK2CTSSMCHR1NTRK1

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 1259/4885SPHK2 4034/4885S1PR4 2663/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885SPHK2 4034/4885S1PR4 2663/4885

“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.