SCHEMBL4394590

SCHEMBL4394590

C=CCOC(=O)CNc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APP P05067 1/20 0.36
HIF1A Q16665 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
SCHEMBL30954 0.85 SMN1; SMN2 (0.50) SMN1; SMN2PKMALDH1A1HSD17B10KDM4E
SCHEMBL3661080 0.84 CA12 (0.42) SMN1; SMN2ALDH1A1HSD17B10KDM4ETP53
Hydrochloric Acid SCHEMBL11303697 0.84 SMN1; SMN2 (0.49) SMN1; SMN2PKMALDH1A1HSD17B10KDM4E
SCHEMBL8597983 0.83 TGM2 (0.49) SMN1; SMN2PKMALDH1A1KDM4ETP53
SCHEMBL16166446 0.82 GRK2 (0.43) SMN1; SMN2PKMALDH1A1KDM4EPOLB
SCHEMBL16166407 0.81 PRSS1 (0.46)
SCHEMBL7335880 0.80 POLB (0.51) SMN1; SMN2ALDH1A1TP53HPGDPOLB
SCHEMBL7346083 0.79 MAPT (0.54) SMN1; SMN2ALDH1A1HSD17B10KDM4ETP53
SCHEMBL1372423 0.78 POLB (0.63) ALDH1A1HSD17B10KDM4ETP53HPGD
SCHEMBL18740426 0.78 PKM (0.47) SMN1; SMN2PKMALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
EP-1005356-B1 NOVEL ANTIBACTERIAL AGENTS THERAVANCE INC (US) 2006-04-12 EP disclosed
EP-1005356-A4 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE INC (US) 2001-08-22 EP disclosed
WO-1999064049-A9 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE INC (US) 2001-01-18 WO disclosed
EP-1005356-A1 NOVEL ANTIBACTERIAL AGENTS Advanced Medicine, Inc. (US) 2000-06-07 EP disclosed
WO-1999064049-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
EP-0089752-B1 FLUORAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN RECORDING SYSTEMS KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1988-04-20 EP disclosed
US-4524373-A Fluoran derivatives as new compounds, process for preparing the same and recording system utilizing the same as colorless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1985-06-18 US disclosed
EP-0089752-A2 Fluoran derivatives, process for their preparation and their use in recording systems KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1983-09-28 EP 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 (4 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS SMN1; SMN2 4850/4885PKM 3756/4885ALDH1A1 1953/4885
US-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SMN1; SMN2 4852/4885PKM 3360/4885ALDH1A1 2244/4885
US-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SMN1; SMN2 4852/4885PKM 3360/4885ALDH1A1 2244/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SMN1; SMN2 4852/4885PKM 3360/4885ALDH1A1 2244/4885

“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.