SCHEMBL2850778

SCHEMBL2850778

COC(=O)/C=C/c1cc(N)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
APP P05067 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TYR P14679 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTPN1 P18031 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
BACE1 P56817 1/20 0.42
FDPS P14324 1/20 0.41

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
SCHEMBL2850780 1.00 TTR (0.47) TTRAPPCA12CA1CA2
SCHEMBL3584118 0.88 CA12 (0.55) TTRAPPCA12CA1CA2
SCHEMBL3584119 0.88 CA12 (0.55) TTRAPPCA12CA1CA2
SCHEMBL26969006 0.83 CYP3A4 (0.52) TTRCA12CA1CA2CA7
SCHEMBL29879341 0.81 TTR (0.47) TTRAPPCA12CA1CA2
SCHEMBL29136808 0.81 TTR (0.47) TTRAPPCA12CA1CA2
SCHEMBL29136758 0.81 TTR (0.47) TTRAPPCA12CA1CA2
SCHEMBL2334343 0.81 AKR1C3 (0.50) TTRAPPCA12CA1CA2
SCHEMBL2186082 0.81 TTR (0.47) TTRAPPCA12CA1CA2
SCHEMBL2186081 0.81 TTR (0.47) TTRAPPCA12CA1CA2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522562-B2 Intestine-specific partial agonists of farnesoid X receptor and uses thereof EWHA DrugDesignHouse Co.,Ltd. (KR) 2026-01-13 US disclosed
WO-2024005520-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF EWHA DrugDesignHouse Co.,Ltd. (KR) 2024-01-04 WO disclosed
US-20230416193-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF EWHA DrugDesignHouse Co.,Ltd. (KR) 2023-12-28 US disclosed
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-05-20 US disclosed
US-10815203-B2 Analogs of fexaramine and methods of making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-10-27 US disclosed
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-04-23 US disclosed
US-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 US disclosed
US-10301268-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-05-28 US disclosed
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (9 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-20230416193-A1 INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF NR1H4, SLC10A2, FABP2 TTR 2668/4885APP 4204/4885CA12 3865/4885
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-10815203-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 TTR 428/4885APP 616/4885CA12 2928/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-10301268-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 TTR 1490/4885APP 2234/4885CA12 4073/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 TTR 668/4885APP 963/4885CA12 2575/4885

“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.