SCHEMBL8008960

SCHEMBL8008960

CC(=O)c1ccc(CO)c(Cl)c1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
HSD17B1 P14061 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GCGR P47871 1/20 0.31
TSHR P16473 2/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8005869 0.81 PKM (0.38) PKMHSD17B1KDM4EALDH1A1HPGD
SCHEMBL10964869 0.77 KMT2A (0.37) ABL1KDM4ETSHRKMT2AATM
SCHEMBL1953239 0.76 ALDH1A1 (0.42) MAOAMAOBABL1KDM4EALDH1A1
SCHEMBL27889438 0.76 ALDH1A1 (0.35) MAOAMAOBABL1KDM4EALDH1A1
SCHEMBL312482 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL27656646 0.71 KMT2A (0.38) MAOAMAOBABL1KDM4EALDH1A1
SCHEMBL10751483 0.70 HSD17B1 (0.42) HSD17B1ALDH1A1HPGDTSHRCYP3A4
SCHEMBL543047 0.69 TSHR (0.45) PKMKDM4EALDH1A1HPGDGCGR
SCHEMBL8448355 0.69 TDP1 (0.46) ALDH1A1TSHRKMT2AATMCYP3A4
SCHEMBL522436 0.68 APOBEC3G (0.36) KDM4EALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PKM 2295/4885HSD17B1 840/4885MAOA 1847/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PKM 2295/4885HSD17B1 840/4885MAOA 1847/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PKM 2295/4885HSD17B1 840/4885MAOA 1847/4885

“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.