SCHEMBL21854092

SCHEMBL21854092

CC[C@@H](C)[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.43
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ KDM5B Q9UGL1 3/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ CAPN1 P07384 4/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ AURKA O14965 3/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL20027858 1.00 DCAF1 (0.53) DCAF1ALDH1A1CNR1CNR2KDM5B
SCHEMBL21854210 0.86 DCAF1 (0.57) DCAF1ALDH1A1KDM5BIRAK4KLKB1
SCHEMBL20027866 0.86 DCAF1 (0.57) DCAF1ALDH1A1KDM5BIRAK4KLKB1
SCHEMBL21854201 0.84 DCAF1 (0.55) DCAF1ALDH1A1CNR2KDM5BCAPN1
SCHEMBL20027904 0.84 DCAF1 (0.55) DCAF1ALDH1A1CNR2KDM5BCAPN1
SCHEMBL21854119 0.80 CAPN1 (0.58) DCAF1ALDH1A1CNR1CNR2CAPN1
SCHEMBL20027905 0.80 CAPN1 (0.58) DCAF1ALDH1A1CNR1CNR2CAPN1
SCHEMBL23268990 0.80 CAPN1 (0.59) DCAF1CAPN1
SCHEMBL20028632 0.80 CAPN1 (0.59) DCAF1CAPN1
SCHEMBL21854314 0.79 DCAF1 (0.54) DCAF1CNR2KDM5BIRAK4KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 — — 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 (5 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885ALDH1A1 4193/4885CNR1 3073/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885ALDH1A1 4193/4885CNR1 3073/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 DCAF1 3598/4885ALDH1A1 4421/4885CNR1 2961/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885ALDH1A1 4193/4885CNR1 3073/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885ALDH1A1 4193/4885CNR1 3073/4885

“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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