SCHEMBL19975563

SCHEMBL19975563

CC(NC(=O)C1CCCCC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
PSMB5 P28074 2/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL19975163 0.85 KMT2A (0.38) EPHX1KMT2ASMN1; SMN2
SCHEMBL19975291 0.83 KMT2A (0.38) EPHX1TSHRCYP3A4KMT2AALDH1A1
SCHEMBL19975361 0.81 EPHX1 (0.40) EPHX1CTSLCTSBCTSKTSHR
SCHEMBL19975153 0.81 EPHX1 (0.45) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19975350 0.81 EPHX1 (0.45) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19974727 0.79 EPHX1 (0.45) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19974786 0.79 EPHX1 (0.46) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19974914 0.79 EPHX1 (0.46) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19975390 0.77 TDP1 (0.42) EPHX1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19975518 0.77 KMT2A (0.44) CTSKTSHRKMT2ASMN1; SMN2ALDH1A1

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-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CTSL 899/4885CTSB 583/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885CTSL 958/4885CTSB 691/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CTSL 899/4885CTSB 583/4885

“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.