SCHEMBL1744778

SCHEMBL1744778

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
ACACB O00763 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FPR1 P21462 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 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
SCHEMBL1744777 1.00 ATM (0.45) ATMSMN1; SMN2CYP3A4CYP2D6ACACB
SCHEMBL1743843 0.84 ACE (0.55) ALDH1A1MAPT
SCHEMBL1744721 0.83 KLK5 (0.50) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1744724 0.83 KLK5 (0.50) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1743704 0.81 CYP3A4 (0.49) SMN1; SMN2CYP3A4CYP2D6ACACBALDH1A1
SCHEMBL2550395 0.81 ATM (0.48) ATMSMN1; SMN2
SCHEMBL2550398 0.81 ATM (0.48) ATMSMN1; SMN2
SCHEMBL7036933 0.79 ATM (0.46) ATM
SCHEMBL7036935 0.79 ATM (0.46) ATM
SCHEMBL25132031 0.79 TAAR1 (0.58) ATMSMN1; SMN2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 ATM 332/4885SMN1; SMN2 4215/4885CYP3A4 2741/4885

“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.