SCHEMBL7230218

SCHEMBL7230218

O=C(O)c1ccc2c(c1)nnn2C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 18/20 0.66
HPGD P15428 2/20 0.60
HCAR2 Q8TDS4 1/20 0.60
MGAM O43451 1/20 0.46
F2 P00734 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
SLC9A1 P19634 1/20 0.46
KMT2A Q03164 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
RXRA P19793 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL7537331 0.87 HCAR3 (0.62) HCAR3HPGDHCAR2RXRAPPARG
SCHEMBL7232454 0.86 HCAR3 (0.53) HCAR3HPGDHCAR2MGAMF2
SCHEMBL18033711 0.82 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL5921944 0.81 HCAR3 (0.68) HCAR3HPGDHCAR2
SCHEMBL18033712 0.79 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL4054573 0.79 KCNMA1 (0.61) HCAR3HPGDHCAR2MGAMF2
SCHEMBL10428898 0.79 KCNMA1 (0.61) HCAR3HPGDMGAMF2AMY1A
SCHEMBL599138 0.79 HCAR3 (1.00) HCAR3HPGDHCAR2KMT2A
SCHEMBL8424378 0.79 HCAR3 (0.66) HCAR3HPGDHCAR2RXRAPPARG
SCHEMBL4958365 0.79 KDM4E (0.53) HCAR3HPGDHCAR2MGAMF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 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 (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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH HCAR3 31/4885HPGD 153/4885HCAR2 49/4885

“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.