SCHEMBL18779362

SCHEMBL18779362

CCOC(=O)c1cc2c(nc1OS(=O)(=O)C(F)(F)F)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 4/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.44
ACHE P22303 4/20 0.40
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL17111535 0.83 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL8201115 0.81 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL17111523 0.80 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL7916619 0.78 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL14499344 0.78 ACHE (0.47) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7913070 0.77 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7903030 0.76 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7902779 0.76 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL10563413 0.76 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL2899565 0.76 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 KDM4E 3594/4885ALDH1A1 4290/4885SMN1; SMN2 2012/4885

“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.