SCHEMBL19084007

SCHEMBL19084007

COc1cc(C(=O)NCC(=O)O)ccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
LMNA P02545 1/20 0.73
HDAC8 Q9BY41 4/20 0.69
ADRB2 P07550 1/20 0.53
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
F10 P00742 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL19084005 0.91 HTT (0.73) HTTLMNAHDAC8ADRB2S1PR1
SCHEMBL19075748 0.91 HTT (0.73) HTTLMNAHDAC8ADRB2S1PR1
SCHEMBL19075731 0.86 HDAC8 (0.75) HTTLMNAHDAC8ADRB2S1PR1
SCHEMBL8178988 0.79 PDE4A (0.71) HTTLMNAPDE4APDE4BPDE4C
SCHEMBL19075721 0.79 HDAC8 (0.69) HTTLMNAHDAC8S1PR1PDE4D
SCHEMBL19083773 0.79 LPAR1 (0.65) HTTLMNAHDAC8ADRB2S1PR1
SCHEMBL15572275 0.79 TSHR (0.67) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL15968774 0.78 PDE4A (0.60) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL15573893 0.77 PDE4A (0.58) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL11702978 0.76 S1PR1 (0.63) HTTLMNAHDAC8ADRB2S1PR1

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-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
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 (5 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 HTT 1368/4885LMNA 462/4885HDAC8 3496/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HTT 1368/4885LMNA 462/4885HDAC8 3496/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HTT 1368/4885LMNA 462/4885HDAC8 3496/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 HTT 1368/4885LMNA 462/4885HDAC8 3496/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HTT 1368/4885LMNA 462/4885HDAC8 3496/4885

“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.