SCHEMBL7328664

SCHEMBL7328664

Cc1ccccc1CNNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK2 O60674 1/20 0.40
S1PR4 O95977 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL14564600 0.85 TSHR (0.44) LMNAPOLBKMT2AGAAMEN1
SCHEMBL3124959 0.84 ALDH1A1 (0.55) HPGDALDH1A1LMNAPOLBKMT2A
SCHEMBL7391934 0.84 NPC1 (0.49) HPGDALDH1A1LMNAPOLBKMT2A
SCHEMBL6232571 0.84 RIPK1 (0.50) HPGDALDH1A1LMNAPOLBKMT2A
SCHEMBL8203893 0.82 NPC1 (0.44) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL1573222 0.82 ITGA4 (0.54) HPGDALDH1A1KMT2AGAAMEN1
SCHEMBL8199848 0.82 NPC1 (0.44) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL3180198 0.81 ATM (0.53) HPGDALDH1A1KMT2AGAAMEN1
SCHEMBL7965246 0.80 CTSS (0.41) ALDH1A1LMNAPOLBKMT2AGAA
SCHEMBL4632779 0.80 CA12 (0.60) ALDH1A1LMNAKMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837705-A AN ANTAGONIST OF EXCITATORY AMINO ACID AND GLYCINE RECEPTOR FOR TREATING NEURODEGENERATIVE DISORDER, STROKE, HYPOGLYCEMIA, ISCHEMIC ATTACK, ANOXIA OR EPILEPSY ZENECA LIMITED (GB) 1998-11-17 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
US-5631376-A PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
US-5621109-A OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1997-04-15 US disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR HPGD 220/4885ALDH1A1 1438/4885LMNA 3235/4885

“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.