SCHEMBL19984568

SCHEMBL19984568

Nc1cc(Br)ccc1S(=O)(=O)N1CCCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
GHSR Q92847 1/20 0.46
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PLAU P00749 1/20 0.41
FKBP1A P62942 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
SCHEMBL19975007 0.96 HCRTR1 (0.52) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL19975006 0.96 HCRTR1 (0.52) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL19975403 0.86 HCRTR1 (0.50) ALDH1A1HCRTR1HCRTR2GHSRMMP13
SCHEMBL28305430 0.82 HCRTR1 (0.53) ALDH1A1HCRTR1HCRTR2MMP13FKBP1A
SCHEMBL19984545 0.82 HCRTR1 (0.53) ALDH1A1HCRTR1HCRTR2MMP13FKBP1A
SCHEMBL2704252 0.81 HCRTR1 (0.70) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL2704254 0.81 HCRTR1 (0.70) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL19975052 0.78 HCRTR1 (0.49) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL19975050 0.78 HCRTR1 (0.49) ALDH1A1HTTHCRTR1HCRTR2MMP8
SCHEMBL5062486 0.78 HTT (0.53) ALDH1A1HTTMMP8MMP12MMP13

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
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
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 ALDH1A1 3992/4885HTT 4564/4885HCRTR1 4289/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885HTT 4564/4885HCRTR1 4289/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885HTT 4564/4885HCRTR1 4289/4885

“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.