SCHEMBL10211540

SCHEMBL10211540

CCOCc1ccc(C(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
MAPK1 P28482 2/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
YEATS4 O95619 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL10211542 0.85 DPP4 (0.37) DPP4MAPK1KMT2A
SCHEMBL10211552 0.81 DPP4 (0.34) DPP4MAPK1KMT2A
SCHEMBL10599245 0.81 DPP4 (0.56) DPP4ALDH1A1HDAC4HDAC6
SCHEMBL45873 0.77 MAPK1 (0.36) MAPK1KMT2AHPGDTSHRATM
SCHEMBL14241954 0.77 DPP4 (0.34) DPP4MAPK1KMT2AHPGDTSHR
SCHEMBL10154897 0.75 DPP4 (0.51) DPP4MAPK1KMT2AHPGDTSHR
SCHEMBL16440503 0.74 MAPK1 (0.37) MAPK1KMT2ATSHRYEATS4ALDH1A1
SCHEMBL18532092 0.74 KMT2A (0.34) MAPK1KMT2AHPGDTSHRNPSR1
SCHEMBL12508125 0.74 DPP4 (0.50) DPP4KMT2AHPGDALDH1A1
SCHEMBL15270985 0.73 MAPK1 (0.33) MAPK1KMT2AYEATS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA DPP4 2824/4885MAPK1 925/4885KMT2A 371/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA DPP4 2818/4885MAPK1 933/4885KMT2A 398/4885

“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.