SCHEMBL2489956

SCHEMBL2489956

O=C(NCc1ccc(C(=O)O)cc1)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
PNMT P11086 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 2/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
PLAU P00749 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
SRD5A2 P31213 1/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL644988 0.84 PNMT (0.43) PNMTEPHX2TPSAB1TPSD1TPSG1
SCHEMBL29430517 0.84 PNMT (0.47) EPHX1PNMTKMT2A
SCHEMBL3459355 0.84 PNMT (0.47) EPHX1PNMTKMT2A
Water SCHEMBL15362024 0.83 PNMT (0.46) EPHX1PNMTKMT2A
SCHEMBL6502789 0.81 PNMT (0.54) EPHX1PNMTEPHX2SRD5A2KMT2A
SCHEMBL29541016 0.81 HTT (0.47) EPHX1PNMTTPSAB1TPSD1TPSG1
SCHEMBL6030527 0.81 HTT (0.47) EPHX1PNMTTPSAB1TPSD1TPSG1
SCHEMBL6374771 0.80 PNMT (0.48) EPHX1PNMTEPHX2KMT2A
Glycine SCHEMBL25183413 0.80 PNMT (0.49) EPHX1PNMTTPSAB1TPSD1TPSG1
SCHEMBL30898587 0.80 PNMT (0.43) EPHX1PNMTTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
EP-2560690-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-02-27 EP disclosed
WO-2011131735-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
EP-2380596-A1 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP 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-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 EPHX1 3867/4885HDAC1 861/4885HDAC2 3926/4885

“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.