Sugi Predict

Sugi Predict / Compounds / SCHEMBL249644

SCHEMBL249644

SCHEMBL249644

CCCCCOc1ccc(Nc2nc(-c3cc4cnccc4o3)cs2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.40
▸ RAB9A P51151 8/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ VCP P55072 2/20 0.35
▸ NTSR1 P30989 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
SCHEMBL204873 0.89 SMN1; SMN2 (0.50) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL207214 0.88 SMN1; SMN2 (0.49) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL204744 0.85 MAPT (0.48) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL208574 0.84 S1PR1 (0.45) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL206871 0.84 S1PR1 (0.45) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL206461 0.83 NPC1 (0.50) RAB9AMEN1KMT2ANPC1CSNK2A1
SCHEMBL204452 0.83 MEN1 (0.57) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL206853 0.82 MEN1 (0.56) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL206765 0.82 MEN1 (0.56) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL208234 0.82 S1PR1 (0.44) S1PR1RAB9AMEN1KMT2ANPC1

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 S1PR1 1259/4885RAB9A 1357/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885RAB9A 1357/4885MEN1 3862/4885

“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.