SCHEMBL19083811

SCHEMBL19083811

COc1cc(C(=O)N[C@H](C)C(=O)O)ccc1OCc1nc(C)c(C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
PPARG P37231 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
HTT P42858 3/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL19083761 0.90 PPARG (0.50) RAB9APPARGNCOA3HTTLMNA
SCHEMBL583633 0.83 HTT (0.61) RAB9AHTTMRGPRX4NPC1SMN1; SMN2
SCHEMBL583233 0.82 KMT2A (0.54) RAB9AHTTMRGPRX4LMNAMEN1
SCHEMBL16458177 0.78 LMNA (0.53) RAB9AHTTMRGPRX4LMNAMEN1
SCHEMBL583036 0.78 CA12 (0.56) RAB9AHTTMRGPRX4LMNASMPD1
SCHEMBL28164564 0.76 HTT (0.52) RAB9AHTTMRGPRX4KDM4EALDH1A1
SCHEMBL583459 0.73 HSD17B2 (0.54) RAB9AHTTLMNAMEN1KMT2A
SCHEMBL10053685 0.73 GAA (0.45) RAB9APPARGHTTMRGPRX4LMNA
SCHEMBL6137929 0.72 HTT (0.59) RAB9AHTTMEN1KMT2A
SCHEMBL6137933 0.72 HTT (0.59) RAB9AHTTMEN1KMT2A

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