SCHEMBL22885979

SCHEMBL22885979

COC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.46
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TACR3 P29371 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CTSA P10619 3/20 0.37
▸ DCAF1 Q9Y4B6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20028606 0.90 PYGL (0.43) PYGLKMT2AMEN1TACR3CNR1
SCHEMBL20027723 0.87 PYGL (0.52) PYGLTACR3CNR1CNR2CYP3A4
SCHEMBL22886627 0.84 PYGL (0.48) PYGLKMT2ATACR3CNR1CNR2
SCHEMBL22885972 0.82 CTSL (0.42) TACR3CNR1CNR2POLBNPC1
SCHEMBL20028599 0.81 ROCK2 (0.53) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL21854245 0.80 CAPN1 (0.51) DCAF1
SCHEMBL20027555 0.80 CAPN1 (0.51) DCAF1
SCHEMBL21854166 0.80 CAPN1 (0.50) KMT2AMEN1POLBCTSL
SCHEMBL21410955 0.80 CTSL (0.44) KMT2AMEN1CNR1CNR2POLB
SCHEMBL29961323 0.80 CTSL (0.44) KMT2AMEN1CNR1CNR2POLB

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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 PYGL 719/4885KMT2A 4527/4885MEN1 4800/4885

“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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