SCHEMBL19974967

SCHEMBL19974967

COCCC(NCc1ccccc1)C(O)C(=O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN9A Q15858 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HDAC3 O15379 1/20 0.39
CTSD P07339 1/20 0.39
CYP3A4 P08684 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL19975037 0.81 SIGMAR1 (0.48) HDAC3CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL19974816 0.77 HDAC3 (0.41) SCN9AHDAC3KMT2ACYP2C19ALDH1A1
SCHEMBL19975305 0.77 CXCR3 (0.41) CTSDCYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL3786803 0.76 PKM (0.46) CA12CA1CA2CA3CA4
SCHEMBL3786809 0.76 PKM (0.46) CA12CA1CA2CA3CA4
SCHEMBL19974688 0.73 CTSL (0.41) CTSDSIGMAR1
SCHEMBL19975315 0.73 NAPEPLD (0.42) HDAC3CTSDKMT2AALDH1A1MEN1
SCHEMBL3786533 0.72 ALDH1A1 (0.47) HDAC3KMT2AALDH1A1MEN1HPGD
SCHEMBL3786538 0.72 ALDH1A1 (0.47) HDAC3KMT2AALDH1A1MEN1HPGD
SCHEMBL28897894 0.72 CASP3 (0.54) CYP3A4KMT2ACYP1A2CYP2D6CYP2C9

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 7 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
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 CA12 3472/4885CA1 3962/4885CA2 2905/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CA12 3451/4885CA1 4029/4885CA2 2926/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CA12 3472/4885CA1 3962/4885CA2 2905/4885

“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.