Sugi Predict

Sugi Predict / Compounds / SCHEMBL1177149

SCHEMBL1177149

SCHEMBL1177149

O=C(CCl)N[C@H](CO)Cc1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ERBB2 P04626 3/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL16767568 0.83 ALDH1A1 (0.43) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL16767474 0.83 ALDH1A1 (0.43) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL1177213 0.82 LMNA (0.46) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL1177696 0.82 ALDH1A1 (0.62) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL17540641 0.82 HTT (0.44) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL1177388 0.78 MME (0.44) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL4859984 0.76 CTSS (0.61) CYP3A4MAPK1
SCHEMBL4859989 0.76 CTSS (0.61) CYP3A4MAPK1
SCHEMBL13986554 0.76 CTSB (0.42) ALDH1A1CYP3A4MAPK1PTGESPIN1
SCHEMBL1177475 0.75 ROCK2 (0.54) HTTALDH1A1NCOA1SMN1; SMN2NCOA3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 — — US disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 — — EP disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 — — EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 — — US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 — — US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 — — 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 (3 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA HTT 2065/4885ALDH1A1 2279/4885NCOA1 1194/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA HTT 1366/4885ALDH1A1 3055/4885NCOA1 1727/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 HTT 1259/4885ALDH1A1 1901/4885NCOA1 883/4885

“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.