SCHEMBL19083761

SCHEMBL19083761

CCOC(=O)[C@@H](C)NC(=O)c1ccc(OCc2nc(C)c(C)nc2C)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ABCB1 P08183 1/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
TAS1R3 Q7RTX0 7/20 0.43
TAS1R1 Q7RTX1 7/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL19083811 0.90 RAB9A (0.49) PPARGRAB9ANCOA3LMNAALDH1A1
SCHEMBL15595517 0.83 ALDH1A1 (0.56) ABCB1LMNANPSR1HSD17B10ALDH1A1
SCHEMBL583233 0.80 KMT2A (0.54) RAB9ALMNAALDH1A1MAPTMAPK1
SCHEMBL16458177 0.79 LMNA (0.53) RAB9ALMNAALDH1A1MAPTTSHR
SCHEMBL583633 0.79 HTT (0.61) RAB9AALDH1A1TSHRHTT
SCHEMBL583459 0.78 HSD17B2 (0.54) RAB9ALMNANPSR1HSD17B10ALDH1A1
SCHEMBL15595954 0.74 ALDH1A1 (0.57) LMNAALDH1A1MAPTMAPK1TAS1R3
SCHEMBL583036 0.74 CA12 (0.56) RAB9ALMNAMAPK1TSHRHTT
SCHEMBL16459569 0.73 LMNA (0.45) RAB9ALMNANPSR1ALDH1A1MAPT
SCHEMBL28164564 0.72 HTT (0.52) RAB9AALDH1A1TSHRHTT

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 PPARG 2160/4885RAB9A 915/4885NCOA3 979/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 PPARG 2160/4885RAB9A 915/4885NCOA3 979/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 PPARG 2160/4885RAB9A 915/4885NCOA3 979/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 PPARG 2160/4885RAB9A 915/4885NCOA3 979/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 PPARG 2160/4885RAB9A 915/4885NCOA3 979/4885

“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.