SCHEMBL19083822

SCHEMBL19083822

CCC(C)C(NC(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
POLB P06746 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
SLC5A7 Q9GZV3 1/20 0.47

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
SCHEMBL20697674 1.00 KMT2A (0.57) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL19083821 0.86 TAS1R3 (0.53) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL31389146 0.82 TAS1R3 (0.63) KMT2AMEN1TAS1R3TAS1R1
SCHEMBL26148924 0.82 TAS1R3 (0.63) KMT2AMEN1TAS1R3TAS1R1
SCHEMBL19084001 0.80 TAS1R3 (0.61) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL20697830 0.80 TAS1R3 (0.61) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL23118386 0.75 KMT2A (0.54) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL19083826 0.72 POLB (0.67) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL19075737 0.71 POLB (0.69) KMT2ARAB9AMEN1TDP1PDE4A
SCHEMBL31389134 0.70 TAS1R3 (0.68) KMT2AMEN1PDE4APDE4BPDE4C

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-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 KMT2A 1836/4885RAB9A 915/4885MEN1 1465/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 KMT2A 1836/4885RAB9A 915/4885MEN1 1465/4885

“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.