SCHEMBL25252644

SCHEMBL25252644

O=C(CNC(=O)OCc1ccccc1)NC1(C(=O)O)CCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.46
OPRK1 P41145 1/20 0.45
PREP P48147 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSK P43235 1/20 0.44
CYP3A4 P08684 1/20 0.44
FUCA1 P04066 1/20 0.44

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
SCHEMBL25244625 0.95 ALDH1A1 (0.56) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL25247732 0.89 ALDH1A1 (0.54) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL4179836 0.86 CTSS (0.62) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL1151498 0.84 CTSS (0.65) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL8981228 0.82 CTSS (0.67) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL8981223 0.82 CTSS (0.67) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL1839379 0.82 CTSS (0.67) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL8981148 0.82 CTSS (0.67) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL8981271 0.82 CTSS (0.67) ALDH1A1CTSLCTSBCTSSLMNA
SCHEMBL25249007 0.81 ALDH1A1 (0.51) ALDH1A1CTSLCTSBCTSSLMNA

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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
EP-4188542-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022031735-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-10 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 (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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 ALDH1A1 1945/4885CTSL 3258/4885CTSB 3851/4885

“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.