SCHEMBL24740368

SCHEMBL24740368

COc1cccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)NCC#N)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.56
▸ CTSB P07858 5/20 0.56
▸ CTSS P25774 4/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ RCE1 Q9Y256 1/20 0.54
▸ CTSK P43235 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL24029102 0.88 KMT2A (0.56) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24020821 0.88 KMT2A (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL30310555 0.88 KMT2A (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL23824473 0.88 KMT2A (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL30310299 0.88 KMT2A (0.61) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24020831 0.87 KMT2A (0.52) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24020078 0.87 CTSL (0.54) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24020857 0.87 CTSL (0.56) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL23836010 0.87 CTSL (0.54) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL23836552 0.85 KMT2A (0.57) CTSLCTSBCTSSMEN1KMT2A

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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — 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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CTSL 3/4885CTSB 32/4885CTSS 7/4885

“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.

Send feedback