SCHEMBL5290492

SCHEMBL5290492

CC(C)c1cccc(NCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.48
▸ CA2 P00918 3/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL396327 0.87 PTGS1 (0.50) CA2MEN1KMT2AAKR1C3KDM4E
SCHEMBL967251 0.85 FADS1 (0.50) FADS1CA2MEN1KMT2AAKR1C3
SCHEMBL16980502 0.84 FADS1 (0.46) FADS1CA2MEN1KMT2AGRIN2D
SCHEMBL16805958 0.82 FABP4 (0.40) FADS1CA2MEN1KMT2AAKR1C3
SCHEMBL340537 0.82 AKR1C3 (0.55) CA2MEN1KMT2AAKR1C3ALDH1A1
SCHEMBL16809244 0.81 CA12 (0.41) CA2MEN1KMT2AAKR1C3KDM4E
SCHEMBL8309851 0.80 KDM4E (0.43) CA2MEN1KMT2AAKR1C3KDM4E
SCHEMBL71574 0.79 CA12 (0.49) CA2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5285305 0.78 GRK2 (0.55) CA2MEN1KMT2ARXRARXRB
SCHEMBL2096086 0.77 FADS1 (0.59) FADS1CA2MEN1KMT2AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020113816-A1 4-AROMATIC HETEROCYCLIC SUBSTITUTED INDAZOLE AND USE THEREOF AS IDO/TDO DUAL INHIBITOR 西华大学 2020-06-11 — — WO disclosed
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 — — US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 — — 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 (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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 FADS1 3502/4885CA2 556/4885PIN1 1579/4885

“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.

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