SCHEMBL19974838

SCHEMBL19974838

CC(C(O)C(=O)NCC1CCCCC1)N(C=O)CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
EPHX1 P07099 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL19975400 1.00 SMN1; SMN2 (0.40) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1
SCHEMBL21183515 0.92 ALOX15 (0.40) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1
SCHEMBL19974951 0.92 CTSD (0.39) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1
SCHEMBL19975112 0.89 MEN1 (0.36) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1
SCHEMBL19974955 0.84 EPHX1 (0.33) EPHX1ALDH1A1GAAKMT2AEPHX2
SCHEMBL19975043 0.84 SMN1; SMN2 (0.38) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1
SCHEMBL21176200 0.84 KDM4E (0.45) SMN1; SMN2EPHX1ALDH1A1L3MBTL1MEN1
SCHEMBL19974754 0.83 EPHX1 (0.39) SMN1; SMN2EPHX1GAAKMT2AMETAP2
SCHEMBL21183507 0.83 CTSD (0.36) EPHX1MMP1MMP8CYP2D6
SCHEMBL19975128 0.82 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1TSHRALDH1A1L3MBTL1

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 SMN1; SMN2 706/4885EPHX1 372/4885TSHR 4378/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885EPHX1 449/4885TSHR 4240/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885EPHX1 372/4885TSHR 4378/4885

“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.