SCHEMBL19975162

SCHEMBL19975162

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
IL1B P01584 3/20 0.33
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
P2RX7 Q99572 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19975290 0.89 KMT2A (0.34) KMT2ACYP3A4SMN1; SMN2TDP1
SCHEMBL19975527 0.86 ADH1C (0.46) KMT2AADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19974862 0.84 ADH1B (0.46) KMT2AADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19975029 0.79 IL1B (0.33) IL1BADH1BADH1CADH1AP2RX7
SCHEMBL19975424 0.76 EPHX1 (0.39) KMT2AADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19975423 0.76 EPHX1 (0.39) KMT2AADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19975360 0.75 MEN1 (0.35) KMT2AADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19975197 0.73 TDP1 (0.37) KMT2AIL1BCYP3A4SMN1; SMN2TDP1
SCHEMBL21176307 0.73 EPHX2 (0.40) KMT2AIL1BP2RX7CYP3A4SMN1; SMN2
SCHEMBL19975245 0.72 ADH1A (0.42) KMT2AADH1BADH1CADH1ASMN1; SMN2

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 KMT2A 4031/4885IL1B 2383/4885ADH1B 1889/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885IL1B 2961/4885ADH1B 2084/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885IL1B 2383/4885ADH1B 1889/4885

“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.