SCHEMBL2305014

SCHEMBL2305014

COC(=O)CCC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.60
ESRRB O95718 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ABL1 P00519 1/20 0.57
POLB P06746 1/20 0.57
ALPI P09923 1/20 0.57
GAA P10253 1/20 0.57
ALPG P10696 1/20 0.57
APEX1 P27695 1/20 0.57
CASP3 P42574 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
CASP7 P55210 1/20 0.57
CASP6 P55212 1/20 0.57
MCL1 Q07820 1/20 0.57
RIN1 Q13671 1/20 0.57

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
SCHEMBL9077833 0.89 HSD17B3 (0.66) HSD17B3ESRRBNPC1RAB9AALDH1A1
SCHEMBL8535748 0.85 KMT2A (0.63) NPC1RAB9AALDH1A1POLBTDP1
SCHEMBL434768 0.84 CA12 (0.57) HSD17B3ESRRBNPC1RAB9AALDH1A1
SCHEMBL7939950 0.83 NPC1 (0.81) HSD17B3NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL31435094 0.83 ALDH1A1 (0.54) HSD17B3ESRRBNPC1RAB9AALDH1A1
SCHEMBL26931597 0.83 ALDH1A1 (0.54) HSD17B3ESRRBNPC1RAB9AALDH1A1
SCHEMBL1108994 0.83 MMP1 (0.70) NPC1RAB9AALDH1A1APEX1RECQL
SCHEMBL9263357 0.83 KMT2A (0.60) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL10638823 0.83 KMT2A (0.48) ESRRBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL640759 0.83 LMNA (0.60) NPC1RAB9AALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931266-B1 COMPOSITION AND KIT COMPRISING PIPERAZINE DERIVATIVES AND METFORMIN, AND USE THEREOF IN THE TREATMENT OF DIABETES METABOLYS (FR) 2020-02-05 EP disclosed
US-9545387-B2 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2017-01-17 US disclosed
US-9545387-B2 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2017-01-17 US disclosed
US-9545387-B2 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2017-01-17 US disclosed
EP-2723719-B1 PIPERAZINE DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN THE TREATMENT OF INSULINORESISTANCE METABOLYS (FR) 2016-11-30 EP disclosed
CN-103796994-B Piperazine derivatives, preparation method thereof and application thereof in treating insulin resistance METABOLYS (FR) 2015-11-25 CN disclosed
US-20150297539-A1 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2015-10-22 US disclosed
US-20150297539-A1 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2015-10-22 US disclosed
US-20150297539-A1 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes METABOLYS (FR) 2015-10-22 US disclosed
US-9150529-B2 Piperazine derivatives, methods for preparing same, and uses thereof in the treatment of insulin resistance METABOLYS (FR) 2015-10-06 US disclosed
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
WO-2010048207-A2 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-04-29 WO disclosed
WO-2010048207-A2 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-04-29 WO disclosed
US-4918092-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1990-04-17 US disclosed
US-4761425-A ANTIASTHMATICS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1988-08-02 US disclosed
US-4720505-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1988-01-19 US disclosed
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed
EP-0147217-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1985-07-03 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-20150297539-A1 Composition and kit comprising piperazine derivatives and metformin, and use thereof in the treatment of diabetes KIT, GPR119, INSR HSD17B3 1830/4885ESRRB 1812/4885NPC1 974/4885
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HSD17B3 788/4885ESRRB 78/4885NPC1 534/4885

“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.