SCHEMBL21176211

SCHEMBL21176211

CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 2/20 0.48
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
S1PR1 P21453 1/20 0.44
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
FBP1 P09467 1/20 0.44

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
SCHEMBL19974713 0.89 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNA
SCHEMBL19974846 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1NPC1MMP2
SCHEMBL19975409 0.88 GBA1 (0.51) KMT2AMEN1ALDH1A1FBP1
SCHEMBL21176241 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1
SCHEMBL19975110 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1THRBFBP1
SCHEMBL21176298 0.80 KMT2A (0.52) KMT2AMEN1ALDH1A1LMNATHRB
SCHEMBL21183565 0.78 RAB9A (0.47) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL19975391 0.77 ITGAV (0.45) KMT2AALDH1A1LMNAPKM
SCHEMBL19974751 0.74 ITGAV (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL21176234 0.73 GBA1 (0.49) KMT2AMEN1ALDH1A1PKMMMP2

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 6 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

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 4031/4885MEN1 4331/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885MEN1 4361/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885MEN1 4331/4885ALDH1A1 2271/4885

“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.