SCHEMBL3564467

SCHEMBL3564467

CCCCC(=O)N[C@H](C(=O)OCc1ccc(Br)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
SDCBP O00560 1/20 0.45
SDC2 P34741 1/20 0.45
ERAP2 Q6P179 2/20 0.43
IL1RN P18510 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
ACACB O00763 1/20 0.41
CTSD P07339 1/20 0.41
LNPEP Q9UIQ6 2/20 0.41
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL1779393 0.87 ERAP2 (0.56) KMT2AERAP2IL1RNERAP1POLB
SCHEMBL1779398 0.87 ERAP2 (0.56) KMT2AERAP2IL1RNERAP1POLB
SCHEMBL28270209 0.84 ERAP2 (0.55) KMT2AERAP2IL1RNERAP1LNPEP
SCHEMBL28270210 0.84 ERAP2 (0.55) KMT2AERAP2IL1RNERAP1LNPEP
SCHEMBL30574529 0.80 CTSB (0.43) KMT2AERAP2IL1RNERAP1MAPT
Hydrochloric Acid SCHEMBL7325792 0.79 CTSB (0.51) KMT2AERAP2IL1RNERAP1LNPEP
SCHEMBL28291704 0.78 HDAC1 (0.58) KMT2AHDAC1HDAC6SDCBPSDC2
SCHEMBL28579332 0.77 CTSB (0.41) KMT2AERAP2IL1RNERAP1MAPT
SCHEMBL28585493 0.77 CTSB (0.41) KMT2AERAP2IL1RNERAP1MAPT
SCHEMBL13044203 0.77 IL1RN (0.56) KMT2AERAP2IL1RNERAP1MEN1

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-7728021-B2 Process for the preparation of Valsartan and precursors thereof INKE, S.A. (ES) 2010-06-01 US disclosed
US-20090221836-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF INKE, S.A. (ES) 2009-09-03 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 (1 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-20090221836-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF REN, AGT, NPPA KMT2A 3473/4885HDAC1 2159/4885HDAC6 3107/4885

“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.