SCHEMBL21891776

SCHEMBL21891776

CC(C)CC(NC(=O)Oc1ccccc1)C(=O)OCCNC(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KCNA5 P22460 1/20 0.44
CYP1A2 P05177 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MMP3 P08254 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
SCHEMBL23130373 0.87 CTSK (0.37) CTSKCTSSCTSLCTSBNPC1
SCHEMBL21891837 0.85 NPC1 (0.49) NPC1RAB9AKCNA5CYP1A2GAA
SCHEMBL8139330 0.84 CYP1A2 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL23423133 0.84 BIRC2 (0.51) CTSK
SCHEMBL21891795 0.84 FAAH (0.43) NPC1RAB9ACYP1A2SIRT1GAA
SCHEMBL21891778 0.84 ITGB1 (0.49) CTSKCTSSCTSLCTSBNPC1
SCHEMBL21891818 0.84 SIRT1 (0.52) SIRT1
SCHEMBL23130277 0.82 SIRT1 (0.56) SIRT1
SCHEMBL21802411 0.82 SIRT1 (0.56) SIRT1
SCHEMBL21891876 0.82 SLC1A3 (0.48) NPC1RAB9AKCNA5CYP1A2GAA

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
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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 (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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 CTSK 1203/4885CTSS 1570/4885CTSL 2152/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 CTSK 1203/4885CTSS 1570/4885CTSL 2152/4885

“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.