SCHEMBL18170903

SCHEMBL18170903

CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
KMT2A Q03164 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.40
CASP3 P42574 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18176923 0.89 KMT2A (0.41) FABP5FABP7KMT2ACHRNB2CHRNB4
SCHEMBL5330089 0.85 FABP5 (0.43) FABP5FABP7KMT2AALDH1A1EPHX2
SCHEMBL21303581 0.83 KMT2A (0.43) FABP5FABP7KMT2ACHRNB2CHRNB4
SCHEMBL1252183 0.83 OPRD1 (0.49) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL31758375 0.82 CHRNB2 (0.43) FABP5FABP7KMT2ACHRNB2CHRNB4
SCHEMBL27028193 0.81 PTGES (0.44) FABP5FABP7KMT2ANPC1
SCHEMBL10037319 0.79 KMT2A (0.51) FABP5FABP7KMT2ACHRNB2CHRNB4
SCHEMBL30584150 0.79 KMT2A (0.51) FABP5FABP7KMT2ACHRNB2CHRNB4
SCHEMBL25457512 0.79 PKM (0.47) FABP5FABP7KMT2ANPC1RAB9A
SCHEMBL120280 0.78 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA FABP5 2461/4885FABP7 764/4885KMT2A 1369/4885

“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.