SCHEMBL19974859

SCHEMBL19974859

CCC(NCC1CN(C(=O)O)C1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.36
METAP2 P50579 1/20 0.36
EPHX1 P07099 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL19975303 0.91 MEN1 (0.37) TSHRCYP2D6METAP2EPHX1CTSK
SCHEMBL19982846 0.85 NAMPT (0.43) TSHREPHX1CTSKKDM4EPOLB
SCHEMBL21183506 0.78 EPHX1 (0.46) TSHRCYP2D6METAP2EPHX1KDM4E
SCHEMBL21176301 0.78 KDM4E (0.48) EPHX1CTSKKDM4EPOLBMEN1
SCHEMBL19974694 0.77 TSHR (0.35) TSHRCYP2D6METAP2EPHX1KDM4E
SCHEMBL19974725 0.76 MEN1 (0.41) TSHRCYP2D6EPHX1KDM4EMEN1
SCHEMBL19974936 0.71 NPC1 (0.43) TSHRKDM4EPOLBMEN1KMT2A
SCHEMBL21176177 0.71 METAP2 (0.56) TSHRCYP2D6METAP2EPHX1MEN1
SCHEMBL19975153 0.71 EPHX1 (0.45) TSHRCYP2D6METAP2EPHX1MEN1
SCHEMBL19975350 0.71 EPHX1 (0.45) TSHRCYP2D6METAP2EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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 (2 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885CYP2D6 798/4885METAP2 585/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885CYP2D6 798/4885METAP2 585/4885

“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.