SCHEMBL19974993

SCHEMBL19974993

CC(C(=O)C(=O)NCC1CCCCC1)N(C=O)CC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.39
HTR4 Q13639 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 4/20 0.35
EPHX2 P34913 2/20 0.34
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
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL19974883 0.94 ALOX15 (0.47) ALOX15TSHRHTR4EPHX1EPHX2
SCHEMBL19975241 0.91 EPHX1 (0.40) TSHRSMN1; SMN2EPHX1EPHX2CA12
SCHEMBL19975106 0.91 EPHX1 (0.40) TSHRSMN1; SMN2EPHX1EPHX2CA12
Trifluoroacetic Acid SCHEMBL30062906 0.86 ALOX15 (0.41) ALOX15TSHRHTR4EPHX1EPHX2
SCHEMBL19974996 0.86 CTSD (0.38) SMN1; SMN2EPHX1EPHX2CA12CA1
SCHEMBL19974880 0.83 ALDH1A1 (0.35) SIGMAR1SMN1; SMN2EPHX1EPHX2CA12
SCHEMBL21183548 0.83 EPHX2 (0.39) HTR4SIGMAR1SMN1; SMN2EPHX1EPHX2
SCHEMBL19975075 0.82 USP2 (0.38) SIGMAR1SMN1; SMN2EPHX1EPHX2ALDH1A1
SCHEMBL21183515 0.81 ALOX15 (0.40) ALOX15TSHRHTR4SIGMAR1SMN1; SMN2
SCHEMBL19974790 0.79 SIGMAR1 (0.40) TSHRSIGMAR1SMN1; SMN2EPHX1ALDH1A1

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 5 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-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 ALOX15 325/4885TSHR 4378/4885HTR4 2268/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALOX15 518/4885TSHR 4240/4885HTR4 2433/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALOX15 325/4885TSHR 4378/4885HTR4 2268/4885

“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.