SCHEMBL21436588

SCHEMBL21436588

Cc1cc2nc(C(O)C(CCc3ccccc3)NC(=O)[C@@H]3C[C@@H](NC(=O)C(C)N)CN3)oc2cc1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.37
MASP2 O00187 5/20 0.35
CTSS P25774 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
XIAP P98170 1/20 0.33

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
SCHEMBL7728949 1.00 F2 (0.37) F2MASP2CTSSCTSLCTSB
SCHEMBL21436586 1.00 F2 (0.37) F2MASP2CTSSCTSLCTSB
SCHEMBL8142222 1.00 F2 (0.37) F2MASP2CTSSCTSLCTSB
SCHEMBL21436289 1.00 F2 (0.37) F2MASP2CTSSCTSLCTSB
SCHEMBL21436251 0.91 F2 (0.35) F2MASP2CTSSCTSLCTSB
SCHEMBL7728635 0.91 F2 (0.35) F2MASP2CTSSCTSLCTSB
SCHEMBL7730106 0.76 CTSC (0.38) CTSSCTSBCTSK
SCHEMBL7728351 0.74 CTSS (0.44) F2MASP2CTSSCTSLCTSB
SCHEMBL7734143 0.73 ATM (0.46) CTSLCTSB
Trifluoroacetic Acid SCHEMBL7734181 0.72 OPRK1 (0.37) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide RHODE ISLAND HOSPITAL (US) 2022-08-23 US disclosed
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-05-13 US disclosed
EP-3773602-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-02-17 EP disclosed
US-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE RHODE ISLAND HOSPITAL 2020-08-27 US disclosed
US-20190328687-A1 Antibacterial Compounds VICTORIA LINK LIMITED (NZ) 2019-10-31 US disclosed
WO-2019192968-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2019-10-10 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 (4 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-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE MALT1, SI, BCL6 F2 4166/4885MASP2 1439/4885CTSS 686/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 F2 4166/4885MASP2 1439/4885CTSS 686/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI F2 2844/4885MASP2 3844/4885CTSS 1425/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX F2 1739/4885MASP2 678/4885CTSS 400/4885

“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.