SCHEMBL17671029

SCHEMBL17671029

COc1cc(Cl)ncc1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ P2RX3 P56373 1/20 0.36
▸ POLQ O75417 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34

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
SCHEMBL425641 0.84 GAA (0.53) L3MBTL1TDP1GAAKDM4ERAB9A
SCHEMBL30031533 0.84 GAA (0.53) L3MBTL1TDP1GAAKDM4ERAB9A
SCHEMBL2438709 0.83 ATR (0.38) ATRP2RX3KDM4ELMNAGABRA1
SCHEMBL24342423 0.83 ATR (0.38) ATRP2RX3KDM4ELMNAGABRA1
SCHEMBL18298896 0.83 ATR (0.43) ATRP2RX3LMNAGABRA1GABRG2
SCHEMBL30726361 0.83 ATR (0.43) ATRP2RX3LMNAGABRA1GABRG2
SCHEMBL21702390 0.82 POLB (0.41) L3MBTL1TDP1GAAKDM4ERAB9A
SCHEMBL30046812 0.82 POLB (0.41) L3MBTL1TDP1GAAKDM4ERAB9A
SCHEMBL2435446 0.82 ATR (0.49) ATRGAAP2RX3KDM4ELMNA
SCHEMBL4001036 0.81 ATR (0.39) ATRGAAP2RX3LMNAKCNQ3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 — — CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 — — EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 — — EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 — — CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 — — US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 — — US disclosed
US-20170240511-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — US disclosed
US-20170240511-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — US disclosed
US-20170240511-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — US disclosed
EP-3204384-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-16 — — EP disclosed
WO-2016054806-A1 SUBSTITTUED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-04-14 — — WO disclosed
WO-2016057743-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP (US) 2016-04-14 — — WO disclosed
WO-2016054806-A1 SUBSTITTUED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-04-14 — — WO disclosed
WO-2016057743-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP (US) 2016-04-14 — — 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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 L3MBTL1 4007/4885TDP1 4565/4885ATR 3968/4885
US-20170240511-A1 SUBSTITUTED PYRIDINE INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, EGLN2, EGLN3 L3MBTL1 4383/4885TDP1 4664/4885ATR 4297/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 L3MBTL1 4007/4885TDP1 4565/4885ATR 3968/4885

“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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