SCHEMBL22647077

SCHEMBL22647077

C/N=C(\N)c1ccc(CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.48
▸ CAMK2A Q9UQM7 1/20 0.48
▸ AKR1B1 P15121 1/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ KLK1 P06870 2/20 0.47
▸ TMPRSS2 O15393 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ F2 P00734 1/20 0.43

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
SCHEMBL3462583 0.83 CA2 (0.50) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL21223499 0.83 CA2 (0.50) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL3462585 0.83 CA2 (0.50) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL4022608 0.78 PLA2G10 (0.61) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL20713868 0.76 SMN1; SMN2 (0.57) ALDH1A1GAAF2SMN1; SMN2TDP1
SCHEMBL13238642 0.76 LOXL2 (0.54) PRSS1ALDH1A1F2PRSS2PRSS3
SCHEMBL23031867 0.76 CA2 (0.43) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL11682282 0.75 CA2 (0.46) CA2CAMK2AAKR1B1PRSS1KLK1
SCHEMBL11682197 0.75 NR1H4 (0.46) CA2CAMK2AAKR1B1ALDH1A1HPGD
SCHEMBL6940225 0.75 ITGB3 (0.73) CA2CAMK2AAKR1B1PRSS1ITGB3

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-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 — — US disclosed
US-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2020-11-12 — — 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 (2 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-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 CA2 2964/4885CAMK2A 2794/4885AKR1B1 78/4885
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 CA2 2964/4885CAMK2A 2794/4885AKR1B1 78/4885

“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.

Send feedback