SCHEMBL7113226

SCHEMBL7113226

N=C(N)c1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.75
PRSS2 P07478 1/20 0.75
PRSS3 P35030 1/20 0.75
KMO O15229 2/20 0.66
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
DHODH Q02127 1/20 0.54
F2 P00734 2/20 0.54
F10 P00742 2/20 0.54
C1S P09871 1/20 0.50
KEAP1 Q14145 1/20 0.50
F12 P00748 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL431391 0.90 PRSS1 (0.59) PRSS1PRSS2PRSS3F2F10
Ammonia Solution, Strong SCHEMBL5000059 0.88 F2 (0.57) PRSS1PRSS2PRSS3F2F10
Ammonia Solution, Strong SCHEMBL5000063 0.88 F2 (0.57) PRSS1PRSS2PRSS3F2F10
SCHEMBL14676446 0.86 PRSS1 (1.00) PRSS1PRSS2PRSS3KMOF2
Hydrochloric Acid SCHEMBL9792863 0.86 PRSS1 (0.83) PRSS1PRSS2PRSS3F2F10
SCHEMBL71238 0.85 KMO (0.86) KMORXRARXRBKEAP1LMNA
SCHEMBL29904709 0.85 KMO (0.86) KMORXRARXRBKEAP1LMNA
SCHEMBL30725957 0.85 KMO (0.86) KMORXRARXRBKEAP1LMNA
SCHEMBL18397582 0.84 KMO (0.70) KMORXRARXRBDHODH
Hydrochloric Acid SCHEMBL697893 0.84 PRSS1 (0.96) PRSS1PRSS2PRSS3KMOF2

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-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US claimed
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 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-20030135055-A1 Aminosulfonylbiphenyl derivatives APOB, F12, SERPINB1 PRSS1 34/4885PRSS2 129/4885PRSS3 156/4885

“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.