SCHEMBL23836552

SCHEMBL23836552

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ RCE1 Q9Y256 1/20 0.57
▸ CTSL P07711 4/20 0.53
▸ CTSB P07858 4/20 0.53
▸ CTSS P25774 3/20 0.53
▸ 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
▸ HDAC5 Q9UQL6 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
SCHEMBL24113263 0.95 KMT2A (0.54) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL30310299 0.91 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL30310555 0.91 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020821 0.91 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL23824473 0.91 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24029102 0.89 KMT2A (0.56) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020831 0.89 KMT2A (0.52) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020887 0.88 CNR2 (0.49) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020818 0.86 KMT2A (0.53) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL29063280 0.86 KMT2A (0.53) KMT2AMEN1RCE1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS ANIXA BIOSCIENCES, INC. 2023-10-26 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 — — US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 — — US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 — — US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 — — US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 — — WO disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — US disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 — — 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 (10 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL KMT2A 3478/4885MEN1 4363/4885RCE1 41/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL KMT2A 3478/4885MEN1 4363/4885RCE1 41/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL KMT2A 3478/4885MEN1 4363/4885RCE1 41/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL KMT2A 3130/4885MEN1 4164/4885RCE1 74/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL KMT2A 3255/4885MEN1 3437/4885RCE1 31/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL KMT2A 3130/4885MEN1 4164/4885RCE1 74/4885
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS SERPINB1, PREP, PRCP KMT2A 4260/4885MEN1 3068/4885RCE1 31/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL KMT2A 3478/4885MEN1 4363/4885RCE1 41/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL KMT2A 3130/4885MEN1 4164/4885RCE1 74/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV KMT2A 3383/4885MEN1 4306/4885RCE1 51/4885

“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