Sugi Predict

Sugi Predict / Compounds / SCHEMBL5874056

SCHEMBL5874056

SCHEMBL5874056

COc1cc(OC)c(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ASPH Q12797 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL19612134 0.86 LCK (0.49) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22833464 0.85 LCK (0.67) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22987089 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL8102763 0.84 CFTR (0.49) ALDH1A1KDM4EHPGDHTR2AHTR2C
SCHEMBL19834717 0.84 HPGD (0.52) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22219661 0.83 LCK (0.46) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL29271922 0.83 HTT (0.47) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL13549553 0.83 LCK (0.46) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL7017848 0.82 P2RX3 (0.46) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22208622 0.81 LCK (0.45) ALDH1A1KDM4EHPGDLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105536-B2 Compounds SMITHKLINE BEECHAM PLC (GB) 2006-09-12 — — US disclosed
CN-1192022-C Novel compound SMITHKLINE BEECHAM PLC (GB) 2005-03-09 — — CN disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 — — US disclosed
CN-1183116-C Substituted isoquinoline derivatives, pharmaceutical composition containing same, preparation method and application thereof ʷ��˿�������ȳ�ķ���޹�˾ 2005-01-05 — — CN disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 — — US disclosed
US-6770657-B2 ARYL OR HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATES POSSESS ANTI-CONVULSANT ACTIVITY AND ARE THEREFORE BELIEVED TO BE USEFUL IN THE TREATMENT AND/OR PREVENTION OF MANY DISEASES SMITHKLINE BEECHAM P.L.C. (GB) 2004-08-03 — — US disclosed
US-20040142964-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2004-07-22 — — US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 — — US disclosed
EP-1367055-A1 Isoquinolinyl carboxamides and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2003-12-03 — — EP disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 — — EP disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 — — EP disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 — — WO disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 — — EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 — — WO disclosed
WO-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 — — WO disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 — — CN disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 — — WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 — — EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 — — 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 (2 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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A ALDH1A1 494/4885KDM4E 910/4885HPGD 589/4885
US-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN ALDH1A1 1272/4885KDM4E 1478/4885HPGD 1374/4885

“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.