SCHEMBL19706324

SCHEMBL19706324

Cc1cc(C(=O)O)cnc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.44
▸ P4HA1 P13674 2/20 0.41
▸ P4HTM Q9NXG6 2/20 0.41
▸ MIF P14174 1/20 0.41
▸ HCAR3 P49019 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ GRM1 Q13255 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TPMT P51580 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL19105572 0.84 HPGDS (0.42) —
SCHEMBL22748276 0.84 HCAR2 (0.43) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL16248203 0.81 KDM4E (0.42) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL17705712 0.81 ATM (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19698928 0.80 HCAR2 (0.43) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL12763742 0.80 HCAR2 (0.43) HCAR2HCAR3KDM4EALDH1A1ALOX15
SCHEMBL846024 0.76 HCAR2 (0.50) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL2601852 0.75 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL15350036 0.75 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFHCAR3
SCHEMBL31681508 0.75 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFHCAR3

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
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 — — WO disclosed
EP-3730487-B1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS GILEAD SCIENCES INC (US) 2022-04-27 — — EP disclosed
US-11247986-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2022-02-15 — — US disclosed
EP-3730487-A1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS Gilead Sciences, Inc. (US) 2020-10-28 — — EP disclosed
US-20190315729-A1 FXR (NR1H4) MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2019-10-17 — — US disclosed
US-10329286-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2019-06-25 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
WO-2017218337-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 — — WO disclosed
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 — — US 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 (5 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-10329286-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885P4HA1 2859/4885P4HTM 1818/4885
US-11247986-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885P4HA1 2859/4885P4HTM 1818/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 HCAR2 378/4885P4HA1 1571/4885P4HTM 1576/4885
US-20190315729-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885P4HA1 2859/4885P4HTM 1818/4885
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885P4HA1 2859/4885P4HTM 1818/4885

“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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