SCHEMBL7215686

SCHEMBL7215686

O=C(CP(=O)(O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MMP2 P08253 4/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP8 P22894 2/20 0.42
MMP9 P14780 1/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
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
SCHEMBL11560406 1.00 CES2 (0.44) CES2CES1MMP2CA12CA1
SCHEMBL9089559 0.98 MEN1 (0.40) CES2CES1MMP2CA12CA1
SCHEMBL1132129 0.88 LMNA (0.43) MMP2CA12CA1CA2CA9
SCHEMBL18810568 0.80 CES2 (0.42) CES2CES1MMP2CA12CA1
SCHEMBL14892056 0.78 MEN1 (0.36) MMP1MMP3MMP8TSHRMEN1
SCHEMBL14892410 0.78 MEN1 (0.36) TSHRMEN1LMNAHPGDBLM
SCHEMBL15511187 0.77 MEN1 (0.34) TSHRMEN1LMNAHPGDBLM
SCHEMBL11542901 0.75 LMNA (0.33) MMP2CA12CA1CA2CA9
SCHEMBL11542904 0.75 LMNA (0.33) MMP2CA12CA1CA2CA9
SCHEMBL17558775 0.75 LMNA (0.33) TSHRMEN1LMNAHPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 US disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 US disclosed
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2019-01-31 US disclosed
CN-109071548-A It can be used for treating the pyrroles's benzimidazole derivative or its analog of especially cancer 埃姆库瑞医药品有限公司 2018-12-21 CN disclosed
EP-3400226-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER Emcure Pharmaceuticals Limited (IN) 2018-11-14 EP disclosed
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 EP disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 US disclosed
US-9850248-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2017-12-26 US disclosed
EP-0667160-A2 Use of certain prostaglandin analogues to treat glaucoma and ocular hypertension ALCON LABORATORIES, INC. (US) 1995-08-16 EP disclosed
US-5405870-A Platelet-aggregation inhibitors; useful in treatment of thrombosis SANKYO COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
US-4959391-A LIPOXYGENASE INHIBITORS, LEUKOTRIENE DISEASES GRUENENTHAL GMBH (DE) 1990-09-25 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0136779-B1 NEW CARBACYCLIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-09-14 EP disclosed
US-4760087-A 5-lipoxygenase inhibitor GRUENENTHAL GMBH (DE) 1988-07-26 US disclosed
US-4517202-A HYPOTENSIVES AND ANTICOAGULANTS MAY & BAKER LIMITED (GB) 1985-05-14 US disclosed
EP-0136779-A1 New carbacyclin derivatives, processes for their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-04-10 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 (5 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT CES2 3022/4885CES1 986/4885MMP2 895/4885
US-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT CES2 3047/4885CES1 958/4885MMP2 878/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT CES2 2645/4885CES1 1617/4885MMP2 1951/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT CES2 3022/4885CES1 986/4885MMP2 895/4885
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER IDO1, IDO2, TDO2 CES2 3338/4885CES1 1723/4885MMP2 2032/4885

“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.