SCHEMBL8574155

SCHEMBL8574155

CNC(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
HPGD P15428 4/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 2/20 0.55
MAPK8 P45983 1/20 0.55
CYP2D6 P10635 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL10153806 0.90 MAPK8 (0.55) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL11744714 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL13359258 0.84 HPGD (0.64) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL7133386 0.84 HDAC1 (0.60) CYP3A4HDAC1HDAC8NPC1RAB9A
SCHEMBL1272814 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
Methane SCHEMBL11745136 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL179025 0.83 HPGD (0.84) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11697156 0.82 HDAC1 (0.69) CYP3A4HDAC1HDAC8SMN1; SMN2HSD17B10
SCHEMBL30992968 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD
SCHEMBL547618 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4CYP1A2CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF ALDH1A1 867/4885CYP3A4 3054/4885CYP1A2 2700/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF ALDH1A1 867/4885CYP3A4 3054/4885CYP1A2 2700/4885

“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.