SCHEMBL5691027

SCHEMBL5691027

CONS(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA5A P35218 1/20 0.65
CA9 Q16790 1/20 0.65
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
SLC40A1 Q9NP59 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7262400 0.86 CA1 (0.64) CA1CA2CA5ACA9NPC1
SCHEMBL10922920 0.86 TSHR (0.57) CA1CA2CA5ACA9NPC1
SCHEMBL21268180 0.84 CA1 (0.67) CA1CA2CA5ACA9NPC1
SCHEMBL3256951 0.84 CA1 (0.67) CA1CA2CA5ACA9NPC1
SCHEMBL9683306 0.83 CA1 (0.70) CA1CA2CA5ACA9NPC1
SCHEMBL11661242 0.82 CA1 (0.73) CA1CA2CA5ACA9NPC1
SCHEMBL11218708 0.81 CA1 (0.63) CA1CA2CA5ACA9NPC1
SCHEMBL30754377 0.81 CA1 (0.63) CA1CA2CA5ACA9NPC1
SCHEMBL10781994 0.81 CA1 (0.63) CA1CA2CA5ACA9NPC1
SCHEMBL3292602 0.80 CA1 (0.71) CA1CA2CA5ACA9NPC1

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-20060287375-A1 Benzisothiazoline derivative, plant disease control agent for agricultural or horticultural use, and pest control agent for agricultural or horticultural use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-12-21 US disclosed
EP-1658771-A1 BENZISOTHIAZOLINE DERIVATIVE, PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE, AND PEST CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-24 EP disclosed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 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-20060287375-A1 Benzisothiazoline derivative, plant disease control agent for agricultural or horticultural use, and pest control agent for agricultural or horticultural use BROX, MBTD1, BRD1 CA1 1979/4885CA2 489/4885CA5A 1405/4885

“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.