SCHEMBL22800925

SCHEMBL22800925

C=CCCOc1ccc(F)c(-c2ccccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.50
▸ MCL1 Q07820 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FFAR1 O14842 4/20 0.42
▸ FFAR4 Q5NUL3 4/20 0.42
▸ KAT6A Q92794 1/20 0.40
▸ PTGER1 P34995 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ACMSD Q8TDX5 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
SCHEMBL22800183 0.80 PTPN11 (0.46) PTPN11KDM4EALDH1A1L3MBTL1
SCHEMBL22800302 0.78 KDM4C (0.45) PTPN11KDM4EALDH1A1L3MBTL1GAA
SCHEMBL22800990 0.75 FNTA (0.35) PTPN11MCL1KDM4EKAT6A
SCHEMBL9186976 0.75 MCL1 (0.44) MCL1ALDH1A1L3MBTL1
SCHEMBL11247571 0.74 SMN1; SMN2 (0.51) PTPN11MCL1KDM4EALDH1A1L3MBTL1
SCHEMBL18763585 0.74 ALDH1A1 (0.53) PTPN11MCL1ALDH1A1L3MBTL1FFAR1
SCHEMBL28438658 0.74 PTPN11 (0.60) PTPN11KDM4EALDH1A1FFAR1KAT6A
SCHEMBL3296021 0.73 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1GAATSHR
SCHEMBL22800285 0.72 ALDH1A1 (0.48) PTPN11KDM4EALDH1A1L3MBTL1
SCHEMBL3296671 0.72 ALDH1A1 (0.54) PTPN11MCL1ALDH1A1L3MBTL1

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 PTPN11 4064/4885MCL1 2390/4885KDM4E 1957/4885

“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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