SCHEMBL21969646

SCHEMBL21969646

CSCCC(NC(=O)c1cnccn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.56
ALDH1A1 P00352 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LONP1 P36776 2/20 0.48
CTSL P07711 1/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL21968829 1.00 FPR1 (0.56) FPR1ALDH1A1USP2TP53ALOX15
SCHEMBL9830718 0.85 LONP1 (0.63) LONP1CTSL
SCHEMBL9830710 0.85 LONP1 (0.63) LONP1CTSL
SCHEMBL26471826 0.83 LONP1 (0.51) LONP1CTSLCA2CA1
SCHEMBL2328038 0.82 KMT2A (0.55) ALDH1A1USP2TP53ALOX15MAPK1
SCHEMBL2328043 0.82 KMT2A (0.55) ALDH1A1USP2TP53ALOX15MAPK1
SCHEMBL21968319 0.81 FPR1 (0.48) FPR1ALDH1A1LONP1CTSL
SCHEMBL21968836 0.81 FPR1 (0.48) FPR1ALDH1A1LONP1CTSL
SCHEMBL22610052 0.80 LONP1 (0.51) ALDH1A1ALOX15LONP1CTSLCA2
SCHEMBL22610053 0.80 LONP1 (0.51) ALDH1A1ALOX15LONP1CTSLCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2023-02-21 US disclosed
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-07 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 (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-11584725-B2 Pyrazinoic acid conjugates and hybrid conjugates QPCT, RARA, PNKP FPR1 238/4885ALDH1A1 240/4885USP2 3715/4885
US-20200140397-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP FPR1 238/4885ALDH1A1 240/4885USP2 3715/4885
US-20230159471-A1 PYRAZINOIC ACID CONJUGATES AND HYBRID CONJUGATES QPCT, RARA, PNKP FPR1 238/4885ALDH1A1 240/4885USP2 3715/4885

“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.