SCHEMBL22886464

SCHEMBL22886464

O=C(NC(Cc1ccccc1)C(=O)CO)c1nsnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.42
▸ FTO Q9C0B1 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HPGDS O60760 3/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL22886426 0.86 FTO (0.42) FTOMAPTHPGDSL3MBTL1POLB
SCHEMBL21854063 0.84 CAPN1 (0.53) CTSBCTSS
SCHEMBL20028431 0.84 CAPN1 (0.53) CTSBCTSS
SCHEMBL21410716 0.82 FTO (0.42) FTOMAPTS1PR1L3MBTL1POLB
SCHEMBL22886730 0.81 L3MBTL1 (0.41) FTOL3MBTL1CTSBCTSSCTSK
SCHEMBL20027780 0.81 CAPN1 (0.51) ACECTSB
SCHEMBL21411218 0.80 CAPN1 (0.40) MAPTL3MBTL1ALDH1A1
SCHEMBL21854216 0.80 CAPN1 (0.52) CTSS
SCHEMBL22886773 0.80 CAPN1 (0.51) MAPTPOLBTDP1
SCHEMBL22886051 0.80 CTSC (0.51) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — US disclosed
CN-112204014-A Calpain modulators and therapeutic uses thereof 布莱德治疗公司 2021-01-08 — — CN 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 ACE 658/4885FTO 4735/4885MAPT 483/4885

“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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