SCHEMBL6077604

SCHEMBL6077604

O=C(O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.57
MCHR1 Q99705 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 3/20 0.40
DAO P14920 1/20 0.40
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6078575 0.87 LIPG (0.54) LIPGKMT2ADAO
SCHEMBL6077310 0.87 LIPG (0.56) LIPGMCHR1MEN1KMT2A
SCHEMBL6078875 0.83 LIPG (0.45) LIPGMEN1KMT2A
SCHEMBL6077852 0.82 CA1 (0.50) LIPGMEN1KMT2A
SCHEMBL6079147 0.79 LIPG (0.54) LIPG
SCHEMBL6077832 0.78 LIPG (0.44) LIPGMEN1KMT2ADAO
SCHEMBL6077959 0.77 HTR1A (0.50) HTR2CHTR2AHTR6
SCHEMBL6077995 0.76 LIPG (0.36) LIPG
SCHEMBL6077954 0.75 KCNH2 (0.47)
SCHEMBL14846261 0.74 LIPG (1.00) LIPG

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 LIPG 2895/4885MCHR1 4549/4885MEN1 4784/4885

“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.