SCHEMBL7122825

SCHEMBL7122825

N=C(N)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.75
ITGA2B P08514 4/20 0.75
PRSS1 P07477 6/20 0.63
TMPRSS2 O15393 2/20 0.61
PRMT1 Q99873 3/20 0.59
F2 P00734 2/20 0.59
ST14 Q9Y5Y6 2/20 0.59
PLAU P00749 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
PRMT5 O14744 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
PTP4A3 O75365 1/20 0.59
SLC22A3 O75751 1/20 0.59
F10 P00742 1/20 0.59
PLG P00747 1/20 0.59
S100B P04271 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59

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
Hydrochloric Acid SCHEMBL8040370 0.98 ITGB3 (0.73) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL8410645 0.95 ITGB3 (0.69) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL8407198 0.95 ITGB3 (0.69) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7291480 0.92 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7282886 0.91 ITGB3 (0.65) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL7832473 0.91 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Iodide SCHEMBL7829929 0.91 ITGB3 (0.64) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Acetic Acid SCHEMBL8382531 0.88 ITGB3 (0.61) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7782353 0.87 ITGB3 (1.00) ITGB3ITGA2BPRSS1F2ST14
SCHEMBL7294121 0.85 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS2PRMT1

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 5 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
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 US disclosed
US-4018933-A PENICILLINS; BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 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 ITGB3 292/4885ITGA2B 117/4885PRSS1 34/4885

“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.