Sugi Predict

Sugi Predict / Compounds / SCHEMBL5489960

SCHEMBL5489960

SCHEMBL5489960

Cc1cc(C(=O)O)c(C(=O)O)c(N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ GABRE P78334 2/20 0.43
▸ GABRA6 Q16445 2/20 0.43
▸ GABRG1 Q8N1C3 2/20 0.43
▸ GABRG3 Q99928 2/20 0.43
▸ GABRQ Q9UN88 2/20 0.43

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
SCHEMBL9259491 0.84 KDM4E (0.55) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL5530847 0.84 KDM4E (0.55) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL28482651 0.83 KDM4E (0.59) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL6682995 0.83 KDM4E (0.53) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL10663487 0.81 KDM4E (0.44) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL14989265 0.81 KDM4E (0.44) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL31494237 0.80 KDM4E (0.55) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL9305599 0.80 KDM4E (0.55) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL2825688 0.80 KDM4E (0.55) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL5094605 0.79 KDM4E (0.59) KDM4EKMT2AMEN1TDP1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242966-B2 Phthalazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
EP-2970179-A1 PHTHALAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 — — EP disclosed
US-20140303168-A1 PHTHALAZINES AS POTASSIUM ION CHANNEL INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2014-10-09 — — US disclosed
WO-2014143608-A1 PHTHALAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 — — WO disclosed
US-7169759-B1 Tetrapeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-01-30 — — US disclosed
EP-1192177-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE Elan Pharmaceuticals, Inc. (US) 2002-04-03 — — EP disclosed
WO-2000077030-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2000-12-21 — — 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-20140303168-A1 PHTHALAZINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNJ2, KCNA4 KDM4E 839/4885KMT2A 533/4885MEN1 1613/4885

“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.