Sugi Predict

Sugi Predict / Compounds / SCHEMBL4220129

SCHEMBL4220129

SCHEMBL4220129

CCCCCCCCOc1ccc(N(N)c2nc(-c3cccnc3)c(F)s2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SPHK2 Q9NRA0 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ TLR8 Q9NR97 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 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
SCHEMBL3127515 0.91 THRA (0.39) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL4657830 0.88 S1PR1 (0.41) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL5425565 0.87 S1PR1 (0.36) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL5418991 0.87 THRA (0.40) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL4657828 0.87 S1PR1 (0.40) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL4655579 0.86 THRA (0.39) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL5430553 0.85 S1PR1 (0.40) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL3122942 0.85 NPC1 (0.43) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL4656435 0.84 THRA (0.42) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL4657791 0.84 THRA (0.40) S1PR1S1PR4S1PR5THRATHRB

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-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 — — US claimed
CN-101801964-A Heteroaryl substituted thiazoles and their use as antiviral agents ACHILLION PHARMACEUTICALS INC 2010-08-11 — — CN claimed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 — — US claimed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 — — US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 — — US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 — — US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 — — US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 — — US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 — — 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 (1 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 S1PR1 3564/4885S1PR4 3727/4885S1PR5 3363/4885

“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.