SCHEMBL2993578

SCHEMBL2993578

COc1ccc2cc(OCc3ccccc3)c(NC(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
LRRK2 Q5S007 2/20 0.44
FLT3 P36888 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTGER1 P34995 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL629633 0.94 ALOX5 (0.47) CYP2C9ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL30026828 0.87 LRRK2 (0.46) CYP2C9LRRK2PTGER1BRD4
SCHEMBL630652 0.87 LRRK2 (0.46) CYP2C9LRRK2PTGER1BRD4
SCHEMBL23100534 0.82 MRGPRX4 (0.44) CYP2C9ALDH1A1KDM4EHDAC8CTSV
SCHEMBL23100541 0.82 CYP2C9 (0.47) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8321616 0.81 SMN1; SMN2 (0.47) ALDH1A1KDM4EHDAC8MTNR1AMTNR1B
SCHEMBL22412427 0.80 HDAC8 (0.49) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6205852 0.80 CYP2C9 (0.46) TACR3CYP2C9ALDH1A1KDM4ECYP1A2
SCHEMBL6204547 0.80 KDM4E (0.48) TACR3CYP2C9ALDH1A1KDM4ECYP1A2
SCHEMBL3003359 0.79 HDAC8 (0.48) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC TACR3 3304/4885CYP2C9 3792/4885ALDH1A1 3001/4885

“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.