SCHEMBL22634064

SCHEMBL22634064

O=C(O)C(Cc1ccccc1)NC(=O)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
MME P08473 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
ACE P12821 2/20 0.42
CPA1 P15085 2/20 0.42
ACE2 Q9BYF1 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
SCHEMBL22634065 1.00 PTPN1 (0.50) PTPN1ALDH1A1GAAMMENPSR1
SCHEMBL22634046 0.89 GAA (0.45) PTPN1ALDH1A1GAAMMEHSD17B10
SCHEMBL22634044 0.89 GAA (0.45) PTPN1ALDH1A1GAAMMEHSD17B10
SCHEMBL22647454 0.88 ATM (0.50) ALDH1A1GAAHSD17B10L3MBTL1POLB
SCHEMBL22647465 0.88 ATM (0.50) ALDH1A1GAAHSD17B10L3MBTL1POLB
SCHEMBL29405787 0.88 ATM (0.50) ALDH1A1GAAHSD17B10L3MBTL1POLB
SCHEMBL22634274 0.88 ALDH1A1 (0.48) PTPN1ALDH1A1GAAMMEL3MBTL1
SCHEMBL22634276 0.88 ALDH1A1 (0.48) PTPN1ALDH1A1GAAMMEL3MBTL1
SCHEMBL22634043 0.87 MME (0.47) GAAMME
SCHEMBL22634220 0.87 MME (0.47) GAAMME

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-10919882-B2 Compounds for use in synthesis of peptidomimetics THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2021-02-16 US disclosed
US-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020227594-A1 COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO disclosed
WO-2020227592-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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 (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-10919882-B2 Compounds for use in synthesis of peptidomimetics DNPEP, NPEPPS, PAM PTPN1 2822/4885ALDH1A1 4622/4885GAA 2546/4885
US-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC PTPN1 2995/4885ALDH1A1 981/4885GAA 1001/4885

“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.