Sugi Predict

Sugi Predict / Compounds / SCHEMBL6399298

SCHEMBL6399298

SCHEMBL6399298

[O]C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CES1 P23141 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL8746377 0.83 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL2442870 0.83 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL14935466 0.83 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL1096837 0.79 KCNN4 (0.47) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL8502722 0.79 KCNN4 (0.42) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL11069916 0.79 CYP1A2 (0.46) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL8680769 0.79 MAPT (0.48) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL6475358 0.79 CYP2C19 (0.42) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL8680764 0.79 KCNN4 (0.42) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
Phosphine SCHEMBL10642479 0.77 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019078171-A1 METHOD FOR CONCENTRATING OR SEPARATING POLYMER COMPOUND 国立大学法人京都大学 2019-04-25 — — WO disclosed
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 — — EP disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 — — US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 — — US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 — — US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 — — EP disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 — — EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 — — EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 — — EP disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 — — EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 — — US disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 — — EP disclosed
CN-1095714-A 2,3- phthalazinone derivatives CIBA GEIGY AG (CH) 1994-11-30 — — CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 — — EP disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 — — US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 — — EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 KCNN4 3093/4885CYP2C19 1268/4885HIF1A 881/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KCNN4 2364/4885CYP2C19 3170/4885HIF1A 3675/4885

“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.