SCHEMBL19984545

SCHEMBL19984545

COC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.53
HCRTR2 O43614 10/20 0.53
CASP3 P42574 2/20 0.48
ALDH1A1 P00352 2/20 0.45
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
LMNA P02545 1/20 0.40
FKBP1A P62942 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 1.00 HCRTR1 (0.53) HCRTR1HCRTR2CASP3ALDH1A1MMP1
SCHEMBL19975403 0.97 HCRTR1 (0.50) HCRTR1HCRTR2CASP3ALDH1A1MMP1
SCHEMBL19975007 0.85 HCRTR1 (0.52) HCRTR1HCRTR2ALDH1A1MMP13SMN1; SMN2
SCHEMBL19975006 0.85 HCRTR1 (0.52) HCRTR1HCRTR2ALDH1A1MMP13SMN1; SMN2
SCHEMBL29360904 0.83 HCRTR1 (0.51) HCRTR1HCRTR2CASP3ALDH1A1FKBP1A
SCHEMBL21291444 0.83 HCRTR1 (0.51) HCRTR1HCRTR2CASP3ALDH1A1FKBP1A
SCHEMBL14265258 0.83 CASP3 (0.49) HCRTR1HCRTR2CASP3ALDH1A1MMP2
SCHEMBL19984568 0.82 ALDH1A1 (0.49) HCRTR1HCRTR2ALDH1A1MMP13FKBP1A
SCHEMBL3115162 0.80 HCRTR1 (0.62) HCRTR1HCRTR2CASP3ALDH1A1MMP1
SCHEMBL3096773 0.80 HCRTR1 (0.62) HCRTR1HCRTR2CASP3ALDH1A1MMP1

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 4 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-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US 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.