SCHEMBL20063716

SCHEMBL20063716

CC(C)(C)OC(=O)COc1ccc(Br)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
TSHR P16473 2/20 0.59
MEN1 O00255 2/20 0.59
AAK1 Q2M2I8 1/20 0.56
RECQL P46063 1/20 0.54
HPGD P15428 5/20 0.54
NPC1 O15118 8/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 2/20 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
SCHEMBL28694748 0.85 TDP1 (0.62) KMT2ATSHRMEN1HPGDSMN1; SMN2
SCHEMBL28979210 0.84 AAK1 (0.56) KMT2ATSHRMEN1AAK1HPGD
SCHEMBL19311844 0.84 TSHR (0.68) KMT2ATSHRMEN1RECQLHPGD
SCHEMBL16585113 0.83 TSHR (0.57) KMT2ATSHRMEN1AAK1RECQL
SCHEMBL24933585 0.83 AAK1 (0.57) KMT2AMEN1AAK1NPC1RAB9A
SCHEMBL16742608 0.83 CYP2C19 (0.49) KMT2ATSHRMEN1AAK1SMN1; SMN2
SCHEMBL1370592 0.83 PTGDR2 (0.49) KMT2ATSHRMEN1AAK1HPGD
SCHEMBL31426280 0.83 PTGDR2 (0.57) KMT2ATSHRMEN1AAK1HPGD
SCHEMBL24934111 0.83 MTNR1A (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23810985 0.82 PTGDR2 (0.65) KMT2ATSHRMEN1AAK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KMT2A 3719/4885TSHR 944/4885MEN1 130/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KMT2A 3719/4885TSHR 944/4885MEN1 130/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KMT2A 3753/4885TSHR 933/4885MEN1 139/4885

“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.