SCHEMBL19975403

SCHEMBL19975403

COC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.50
HCRTR2 O43614 7/20 0.50
CASP3 P42574 1/20 0.47
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
MMP13 P45452 2/20 0.44
FKBP1A P62942 2/20 0.43
GHSR Q92847 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MMP2 P08253 1/20 0.41
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL28305430 0.97 HCRTR1 (0.53) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL19984545 0.97 HCRTR1 (0.53) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL19984568 0.86 ALDH1A1 (0.49) HCRTR1HCRTR2MMP13FKBP1AGHSR
SCHEMBL19975023 0.84 FKBP1A (0.48) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL19975007 0.82 HCRTR1 (0.52) HCRTR1HCRTR2MMP13ALDH1A1
SCHEMBL19975006 0.82 HCRTR1 (0.52) HCRTR1HCRTR2MMP13ALDH1A1
SCHEMBL21291444 0.80 HCRTR1 (0.51) HCRTR1HCRTR2CASP3FKBP1AALDH1A1
SCHEMBL29360904 0.80 HCRTR1 (0.51) HCRTR1HCRTR2CASP3FKBP1AALDH1A1
SCHEMBL14265258 0.80 CASP3 (0.49) HCRTR1HCRTR2CASP3ALDH1A1MMP2
SCHEMBL3115162 0.77 HCRTR1 (0.62) HCRTR1HCRTR2CASP3MMP1MMP3

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-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
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 HCRTR1 4289/4885HCRTR2 4253/4885CASP3 4062/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCRTR1 4289/4885HCRTR2 4253/4885CASP3 4062/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCRTR1 4289/4885HCRTR2 4253/4885CASP3 4062/4885

“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.