SCHEMBL7325159

SCHEMBL7325159

COc1cccc(CNNC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP13 P45452 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CACNA1B Q00975 1/20 0.48
HPGD P15428 3/20 0.48
HDAC1 Q13547 1/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.46

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
SCHEMBL29800530 0.89 CA12 (0.48) SMN1; SMN2MEN1KMT2A
SCHEMBL4082178 0.86 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2MMP13MEN1
SCHEMBL3418637 0.86 ALDH1A1 (0.62) ALDH1A1HTTSMN1; SMN2MMP13MEN1
SCHEMBL28718987 0.85 PTGS1 (0.50) ALDH1A1SMN1; SMN2MMP13MEN1KMT2A
SCHEMBL7394476 0.85 CYP1A2 (0.46) MEN1KMT2AKDM4EHIF1ALMNA
SCHEMBL7335575 0.83 POLB (0.46) ALDH1A1HTTMMP13KMT2AHPGD
SCHEMBL2493016 0.83 NPC1 (0.49) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4087321 0.83 SLC7A5 (0.47) ALDH1A1SMN1; SMN2CACNA1BHPGDKDM4E
SCHEMBL26196717 0.83 POLB (0.51) ALDH1A1HTTSMN1; SMN2CACNA1BPOLB
SCHEMBL7326336 0.82 CTSL (0.51) HDAC1KDM4EAPEX1

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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 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
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD ALDH1A1 1335/4885HTT 3096/4885SMN1; SMN2 4364/4885

“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.