SCHEMBL21891771

SCHEMBL21891771

CCC(C)C(OC#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.36
CTSK P43235 1/20 0.36
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL23130107 0.81 ALDH1A1 (0.36) CTSSCTSKALDH1A1CTSLCTSB
SCHEMBL23130209 0.81 CA1 (0.35) CTSSCTSKALDH1A1CTSLCTSB
SCHEMBL21891814 0.79 MMP1 (0.42) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL26940431 0.79 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALDH1A1MME
SCHEMBL21891754 0.75
SCHEMBL17138109 0.74 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1MME
SCHEMBL26940424 0.72 ALDH1A1 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1MME
SCHEMBL26940426 0.72 ALDH1A1 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1MME
SCHEMBL8085167 0.72 ALDH1A1 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1MME
SCHEMBL21891866 0.71 CHRM2 (0.31)

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 CTSS 1570/4885CTSK 1203/4885SLC1A3 4750/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 CTSS 1570/4885CTSK 1203/4885SLC1A3 4750/4885

“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.