SCHEMBL25767923

SCHEMBL25767923

CCCc1c(NN)ccc(Cl)c1C(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32

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
SCHEMBL23835778 0.76 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL24971841 0.73 — —
SCHEMBL11056940 0.68 ALDH1A1 (0.49) PRKCZALDH1A1HPGDTAS1R3TAS1R1
Water SCHEMBL7924276 0.67 TAS1R3 (0.47) PRKCZALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL14726669 0.63 TYK2 (0.55) ALDH1A1HPGDPOLBITGB1ITGA4
SCHEMBL29493338 0.63 TAS1R3 (0.47) ALDH1A1HPGDTAS1R3TAS1R1POLB
SCHEMBL8408918 0.63 MEN1 (0.49) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL11014812 0.63 CA12 (0.41) ALDH1A1HPGDTAS1R3TAS1R1POLB
SCHEMBL4424585 0.62 PRKCZ (0.43) PRKCZMAPK1ALDH1A1HPGDTAS1R3
SCHEMBL21236340 0.62 POLB (0.38) MAPK1ALDH1A1HPGDPOLBGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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 (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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PRKCZ 1831/4885MAPK1 4249/4885ALDH1A1 1863/4885

“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.

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