SCHEMBL6077161

SCHEMBL6077161

O=C(O)C1=C(O)C(=O)N(Cc2cccs2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 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
SCHEMBL6077872 0.86 POLB (0.40) L3MBTL1POLBTDP1CYP2C19ALDH1A1
SCHEMBL7212684 0.78 LIPG (0.54) L3MBTL1POLBCYP2C19KMT2A
SCHEMBL27723153 0.75 TSHR (0.46) L3MBTL1POLBTDP1GAAMEN1
SCHEMBL6078714 0.74 LIPG (0.43) MEN1KMT2AALDH1A1
SCHEMBL27702693 0.74 LIPG (0.50) MEN1KMT2AALDH1A1
SCHEMBL27723159 0.72 CYP1A2 (0.53) POLBGAACYP2C19ALDH1A1MAPT
SCHEMBL27723158 0.70 LIPG (0.60) TDP1CYP2C19KMT2AALDH1A1MAPT
SCHEMBL6077310 0.70 LIPG (0.56) L3MBTL1GAAMEN1KMT2AMAPT
SCHEMBL9042235 0.69 L3MBTL1 (0.60) L3MBTL1POLBTDP1GAACYP2C19
SCHEMBL6077755 0.69 LIPG (0.49) L3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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 (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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF L3MBTL1 2246/4885POLB 23/4885TDP1 117/4885

“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.