SCHEMBL38747

SCHEMBL38747

Nc1ccc(C(=O)c2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.62
L3MBTL1 Q9Y468 4/20 0.57
GAA P10253 1/20 0.54
MMP2 P08253 1/20 0.50
PARP10 Q53GL7 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
LTA4H P09960 1/20 0.46
SRD5A2 P31213 2/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL2198008 0.91 L3MBTL1 (0.67) PPARAL3MBTL1MMP2PARP10LMNA
Hydrochloric Acid SCHEMBL25375206 0.90 L3MBTL1 (0.65) PPARAL3MBTL1MMP2LMNALTA4H
SCHEMBL5811176 0.85 GAA (0.70) PPARAL3MBTL1GAAPARP10MAPT
SCHEMBL24348096 0.84 MAPT (0.51) PPARAL3MBTL1GAAMAPTLMNA
SCHEMBL21991829 0.83 PPARA (0.62) PPARAL3MBTL1GAAMMP2MAPT
SCHEMBL38710 0.83 ALOX15 (0.55) PPARAGAAMAPTSRD5A2TSHR
SCHEMBL12099337 0.82 PPARA (0.56) PPARAL3MBTL1LMNANPC1RAB9A
SCHEMBL11592057 0.81 L3MBTL1 (0.58) L3MBTL1GAAMAPTLMNAMAPK1
SCHEMBL16245586 0.81 PPARA (0.63) PPARAL3MBTL1GAANPC1RAB9A
SCHEMBL2234098 0.80 PKM (0.69) PPARAL3MBTL1MMP2MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022063549-A1 ACTIVE SUBSTANCES AND DRUGS FOR THERAPY OF VIRAL DISEASES, PARTICULARLY CORONA INFECTIONS, MORE PARTICULARLY COVID-19 CREATIVE THERAPEUTICS GMBH (DE) 2022-03-31 WO disclosed
EP-2758367-B1 NOVEL ISOCYANATE AND ISOTHIOCYANATE COMPOUNDS FOR CANCER TREATMENT DoubleHill GmbH (DE) 2015-11-18 EP disclosed
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
WO-2013041204-A1 NOVEL ISOCYANATE AND ISOTHIOCYANATE COMPOUNDS FOR CANCER TREATMENT 2LUTION GmbH (DE) 2013-03-28 WO disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 US 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 (2 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-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL PPARA 2387/4885L3MBTL1 1076/4885GAA 490/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL PPARA 2387/4885L3MBTL1 1076/4885GAA 490/4885

“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.