SCHEMBL21854296

SCHEMBL21854296

NC(=O)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 2/20 0.51
▸ HPGDS O60760 2/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ ITGB2 P05107 8/20 0.48
▸ ICAM1 P05362 8/20 0.48
▸ ITGAL P20701 8/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 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
SCHEMBL22896955 0.94 ITGB2 (0.48) BBOX1HPGDSERAP2ITGB2ICAM1
SCHEMBL22896694 0.91 GAA (0.49) BBOX1HPGDSERAP2ITGB2ICAM1
SCHEMBL22896953 0.90 ITGB2 (0.49) BBOX1HPGDSERAP2ITGB2ICAM1
SCHEMBL22897039 0.88 ITGB2 (0.48) BBOX1HPGDSERAP2ITGB2ICAM1
SCHEMBL22896275 0.86 ITGB2 (0.45) BBOX1HPGDSERAP2ITGB2ICAM1
SCHEMBL22896846 0.84 CAPN1 (0.49) BBOX1HPGDSLNPEP
SCHEMBL20028007 0.82 CCKBR (0.41) —
SCHEMBL22897201 0.82 F10 (0.45) TACR1CTSL
SCHEMBL21854063 0.81 CAPN1 (0.53) CTSL
SCHEMBL20028431 0.81 CAPN1 (0.53) CTSL

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 8 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-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-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-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 BBOX1 2495/4885HPGDS 1604/4885ERAP2 134/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 BBOX1 2495/4885HPGDS 1604/4885ERAP2 134/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 BBOX1 2562/4885HPGDS 1339/4885ERAP2 329/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 BBOX1 2495/4885HPGDS 1604/4885ERAP2 134/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 BBOX1 2495/4885HPGDS 1604/4885ERAP2 134/4885

“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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