SCHEMBL19975029

SCHEMBL19975029

CC(C(=O)C(=O)NCC1CC1)N(C=O)C1CCC(F)(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 3/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
P2RX7 Q99572 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL28315357 0.89 TDP1 (0.32) TDP1
SCHEMBL21183524 0.86 ADH1A (0.47) ADH1BADH1CADH1ATDP1
SCHEMBL19974720 0.83 ADH1C (0.47) ADH1BADH1CADH1A
SCHEMBL19975162 0.79 KMT2A (0.33) IL1BADH1BADH1CADH1ATDP1
SCHEMBL21183558 0.78 ADH1B (0.39) ADH1BADH1CADH1A
SCHEMBL21176194 0.74 ADH1B (0.34) ADH1BADH1CADH1A
SCHEMBL19975030 0.73 EPHX1 (0.36) TDP1ROCK2
SCHEMBL21183539 0.72 ADH1A (0.46) ADH1BADH1CADH1A
SCHEMBL19974731 0.71 TDP1 (0.34) TDP1
SCHEMBL21183526 0.71 ADH1A (0.49) ADH1BADH1CADH1A

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 IL1B 2383/4885ADH1B 1889/4885ADH1C 3925/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C IL1B 2961/4885ADH1B 2084/4885ADH1C 3739/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C IL1B 2383/4885ADH1B 1889/4885ADH1C 3925/4885

“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.