SCHEMBL19975477

SCHEMBL19975477

O=C(O)c1ccc2c(c1)NC(=O)C21CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.57
RAF1 P04049 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
IP6K1 Q92551 2/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49

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
SCHEMBL9773677 0.92 IP6K1 (0.52) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL9773678 0.86 IP6K1 (0.63) MAPK14IP6K1IP6K3IP6K2
SCHEMBL19975285 0.83 MAPK14 (0.56) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL1232255 0.82 MAPK14 (0.81) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL9773752 0.80 MAPK14 (0.55) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL9378616 0.77 MAPK14 (0.46) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL4715820 0.76 PGR (0.59) MAPK14
SCHEMBL1233730 0.76 PGR (0.46) MAPK14
SCHEMBL4719167 0.76 TNKS (0.51) MAPK14CYP1A2CYP2C19
SCHEMBL30898641 0.76 MAPK14 (0.67) MAPK14RAF1CYP1A2CYP2C9CYP2C19

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 9 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
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 MAPK14 2210/4885RAF1 3139/4885CYP1A2 829/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS MAPK14 2210/4885RAF1 3139/4885CYP1A2 829/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS MAPK14 2210/4885RAF1 3139/4885CYP1A2 829/4885

“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.