SCHEMBL4820728

SCHEMBL4820728

CC(=O)c1ccc(CC(=O)O)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
CREBBP Q92793 1/20 0.50
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SRC P12931 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL28220193 0.86 PRKCI (0.50) PRKCICREBBPPKMKMT2APOLB
SCHEMBL28763271 0.85 KDM4E (0.49) HSD17B10KMT2APOLBMEN1ALDH1A1
SCHEMBL4160955 0.85 CREBBP (0.61) PRKCICREBBPPKMHSD17B10KMT2A
SCHEMBL25590302 0.81 PKM (0.59) PRKCICREBBPPKMHSD17B10KMT2A
SCHEMBL27862364 0.81 KDM4E (0.58) PKMHSD17B10POLBALDH1A1MAPT
SCHEMBL14368281 0.80 NR1H4 (0.55) PKMHSD17B10KMT2APOLBMEN1
SCHEMBL10687240 0.79 CREBBP (0.55) PRKCICREBBPPKMHSD17B10ALDH1A1
SCHEMBL13986277 0.79 PRKCI (0.50) PRKCICREBBPPKMHSD17B10KMT2A
SCHEMBL22491940 0.79 MAOB (0.48) PKMHSD17B10KMT2APOLBMEN1
SCHEMBL4814551 0.79 PKM (0.43) PKMHSD17B10KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001390-A Boronic acid derivatives 默克专利股份公司 2017-08-01 CN disclosed
US-7468364-B2 Carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-23 US disclosed
US-20070265242-A1 Novel Carbapenem Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-11-15 US disclosed
EP-1785426-A1 NOVEL CARBAPENEM COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-05-16 EP disclosed
US-20060183730-A1 Novel carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-08-17 US disclosed
EP-1612211-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2006-01-04 EP 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-20060183730-A1 Novel carbapenem compounds MGAM, SI, MCRS1 PRKCI 875/4885CREBBP 3517/4885PKM 776/4885
US-20070265242-A1 Novel Carbapenem Compound C1R, C3AR1, OXA1L PRKCI 1945/4885CREBBP 1912/4885PKM 773/4885

“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.