SCHEMBL18153337

SCHEMBL18153337

O=C(O)c1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(C(F)(F)F)n3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
PKM P14618 1/20 0.50
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GBA1 P04062 2/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL18162545 0.92 KMT2A (0.58) KMT2APKMMAPTRXFP1MEN1
SCHEMBL18162554 0.90 AURKA (0.51) KMT2APKMCCNE1CDK2MAPT
SCHEMBL18153339 0.90 KMT2A (0.53) KMT2APKMCCNE1CDK2MAPT
SCHEMBL18162464 0.89 KMT2A (0.53) KMT2APKMMAPTRXFP1GBA1
SCHEMBL18153361 0.89 KMT2A (0.49) KMT2APKMMAPTRXFP1MEN1
SCHEMBL18162555 0.89 KMT2A (0.54) KMT2APKMMAPTRXFP1GBA1
SCHEMBL18153301 0.88 PKM (0.65) KMT2APKMCCNE1CDK2MAPT
SCHEMBL18162468 0.88 PKM (0.58) KMT2APKMCCNE1CDK2MAPT
SCHEMBL18153310 0.86 MAPT (0.50) KMT2APKMMAPTHTTUSP2
SCHEMBL18153376 0.85 PKM (0.47) KMT2APKMCCNE1CDK2MAPT

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
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 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 (2 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS KMT2A 4450/4885PKM 4360/4885CCNE1 3278/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS KMT2A 4450/4885PKM 4360/4885CCNE1 3278/4885

“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.