SCHEMBL19122140

SCHEMBL19122140

O=C(O)c1ccc2nc(N3CCc4cc(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)ccc4C3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.72
▸ HSD17B13 Q7Z5P4 1/20 0.48

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
SCHEMBL19122387 0.87 NR1H4 (0.71) NR1H4
SCHEMBL19122604 0.86 NR1H4 (0.71) NR1H4HSD17B13
SCHEMBL9959090 0.84 NR1H4 (1.00) NR1H4
SCHEMBL19122446 0.83 NR1H4 (0.71) NR1H4HSD17B13
SCHEMBL9959168 0.82 NR1H4 (0.94) NR1H4
SCHEMBL28912135 0.82 NR1H4 (0.75) NR1H4HSD17B13
SCHEMBL28973979 0.81 NR1H4 (0.81) NR1H4
SCHEMBL19122445 0.80 NR1H4 (0.72) NR1H4HSD17B13
SCHEMBL19122003 0.80 NR1H4 (0.80) NR1H4
SCHEMBL9959364 0.79 NR1H4 (0.82) NR1H4

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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 — — US disclosed
US-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 — — US disclosed
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 — — EP disclosed
WO-2017118294-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 广州市恒诺康医药科技有限公司 2017-07-13 — — 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 (1 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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF NR1H4, FXR1, GPBAR1 NR1H4 1/4885HSD17B13 249/4885

“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.

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