SCHEMBL19984538

SCHEMBL19984538

Nc1cc(C(=O)O)ccc1Sc1cnccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 2/20 0.66
KDM4C Q9H3R0 5/20 0.51
KDM4D Q6B0I6 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM6B O15054 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4A O75164 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 1/20 0.51
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
LMNA P02545 2/20 0.39
AR P10275 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL30402131 1.00 KDM4E (0.66) KDM4EALDH1A1TDP1KDM4CKDM4D
SCHEMBL17086122 0.82 KDM4E (0.77) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL3381158 0.80 KDM4E (1.00) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL19984746 0.79 ALDH1A1 (0.58) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL30401491 0.79 ALDH1A1 (0.58) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL17080111 0.76 KDM4E (0.68) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL4007821 0.76 KDM4E (0.68) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL4001773 0.76 ALDH1A1 (0.68) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL4002368 0.74 ALDH1A1 (0.69) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL4004137 0.74 KDM4E (0.69) KDM4EALDH1A1TDP1MAPTL3MBTL1

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
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN disclosed
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 KDM4E 2469/4885ALDH1A1 3992/4885TDP1 4608/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885TDP1 4608/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885TDP1 4608/4885

“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.