SCHEMBL19975023

SCHEMBL19975023

COC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.48
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MCOLN3 Q8TDD5 2/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
EPHX2 P34913 1/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21291444 0.97 HCRTR1 (0.51) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL29360904 0.97 HCRTR1 (0.51) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL15656044 0.85 MAPT (0.54) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL19975403 0.84 HCRTR1 (0.50) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL19975050 0.83 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1MCOLN3MMP13
SCHEMBL19975052 0.83 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1MCOLN3MMP13
SCHEMBL7981690 0.81 ALDH1A1 (0.58) CASP3ALDH1A1MCOLN3KMT2AEPHX2
SCHEMBL28305430 0.80 HCRTR1 (0.53) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL19984545 0.80 HCRTR1 (0.53) FKBP1AHCRTR1HCRTR2CASP3ALDH1A1
SCHEMBL2772035 0.78 NPC1 (0.54) ALDH1A1MCOLN3KMT2AEPHX2PKM

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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS FKBP1A 2896/4885HCRTR1 4289/4885HCRTR2 4253/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS FKBP1A 2896/4885HCRTR1 4289/4885HCRTR2 4253/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS FKBP1A 2896/4885HCRTR1 4289/4885HCRTR2 4253/4885

“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.