SCHEMBL7749573

SCHEMBL7749573

C=CCC(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TGM2 P21980 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSS P25774 2/20 0.46
LMNA P02545 2/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SYK P43405 1/20 0.43
MIF P14174 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
SCHEMBL9766243 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL16906275 0.86 MEN1 (0.49) SMN1; SMN2MEN1KMT2ATGM2ALDH1A1
SCHEMBL22469527 0.86 CTSS (0.50) SMN1; SMN2MEN1KMT2ATGM2ALDH1A1
SCHEMBL24521743 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ATGM2ALDH1A1
SCHEMBL2187660 0.84 MEN1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL567578 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL8282485 0.82 MEN1 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL2188825 0.81 MEN1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL9800506 0.81 KMT2A (0.52) SMN1; SMN2MEN1KMT2ATGM2ALDH1A1
SCHEMBL28931264 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ATGM2ALDH1A1

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-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 US disclosed
WO-2012173689-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SMN1; SMN2 3979/4885MEN1 3118/4885KMT2A 4518/4885

“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.