SCHEMBL19866499

SCHEMBL19866499

C[C@H](C#N)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CTSS P25774 12/20 0.50
CTSL P07711 10/20 0.50
CTSB P07858 7/20 0.49
CTSK P43235 6/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TACR1 P25103 1/20 0.46

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
SCHEMBL10523992 1.00 ALDH1A1 (0.55) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL6960308 0.84 ALDH1A1 (0.56) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL14046783 0.83 ALDH1A1 (0.55) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL6928082 0.82 CTSS (0.53) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL6928086 0.82 CTSS (0.53) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL6928091 0.82 CTSS (0.53) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL20921123 0.81 ALDH1A1 (0.44) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL28642241 0.81 ALDH1A1 (0.53) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL17005822 0.81 ALDH1A1 (0.49) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL27314350 0.80 ALDH1A1 (0.51) ALDH1A1CTSSCTSLCTSBCTSK

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-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2019-08-06 US disclosed
US-20190031703-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-01-31 US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 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 (3 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-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885CTSS 3492/4885CTSL 2567/4885
US-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885CTSS 3492/4885CTSL 2567/4885
US-20190031703-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 ALDH1A1 1431/4885CTSS 2963/4885CTSL 2235/4885

“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.