SCHEMBL22355167

SCHEMBL22355167

Cc1ccc(-c2cc(C(N)=O)nn2CC(=O)OC(C)(C)C)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.33
▸ PTGER1 P34995 2/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20329610 0.82 TDP1 (0.50) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL28340783 0.77 KDM4E (0.35) ALDH1A1KDM4EMAPTPTGER1POLB
SCHEMBL21790280 0.76 PIM1 (0.45) ALDH1A1KDM4EMAPTPTGER1TDP1
SCHEMBL21789553 0.75 MKNK1 (0.40) —
SCHEMBL19795734 0.72 CNR1 (0.40) ALDH1A1KDM4EPKMMAPTHDAC6
SCHEMBL14096869 0.65 LMNA (0.41) ALDH1A1KDM4EPKMPTGER1L3MBTL1
SCHEMBL21790214 0.64 NR1H2 (0.40) ALDH1A1KDM4E
SCHEMBL20487877 0.64 CFD (0.44) ALDH1A1KDM4EPKMMAPTTDP1
SCHEMBL3995751 0.63 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL18555701 0.63 TDP1 (0.68) ALDH1A1KDM4EMAPTTDP1L3MBTL1

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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ALDH1A1 2717/4885KDM4E 3292/4885PKM 4346/4885

“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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