SCHEMBL7766764

SCHEMBL7766764

CCOC(=O)CCc1ccc(C(=O)OCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.70
CYP4A11 Q02928 2/20 0.70
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
CYP4Z1 Q86W10 1/20 0.55
NAMPT P43490 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.50

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
SCHEMBL68902 0.89 CYP4F2 (0.85) CYP4F2CYP4A11LMNACYP4Z1MAPT
SCHEMBL8746140 0.88 CA12 (0.59) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL879130 0.87 CYP4F2 (0.77) CYP4F2CYP4A11LMNACYP4Z1MAPT
SCHEMBL12199135 0.87 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL6847256 0.86 CYP4F2 (0.70) CYP4F2CYP4A11LMNACYP4Z1MAPT
SCHEMBL1943990 0.86 CYP4F2 (0.70) CYP4F2CYP4A11LMNACYP4Z1MAPT
SCHEMBL7482018 0.86 CA12 (0.58) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL7367543 0.86 HTT (0.64) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8570715 0.86 CYP4F2 (0.60) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL15298003 0.85 MEN1 (0.64) CYP4F2CYP4A11LMNANAMPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074806-B HSP70 modulators and methods of making and using the same 纪念斯隆-凯特琳癌症中心 2021-04-23 CN disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-10160729-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-12-25 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
EP-3143013-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME Memorial Sloan Kettering Cancer Center (US) 2017-03-22 EP disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO disclosed
EP-0846687-B1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors LILLY CO ELI (US) 2001-08-08 EP disclosed
US-5972972-A FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
WO-1998024437-A1 PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
EP-0846687-A1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY (US) 1998-06-10 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CYP4F2 3816/4885CYP4A11 4303/4885CA12 1814/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CYP4F2 3816/4885CYP4A11 4303/4885CA12 1814/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CYP4F2 4038/4885CYP4A11 4475/4885CA12 1991/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 CYP4F2 3816/4885CYP4A11 4303/4885CA12 1814/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 CYP4F2 3816/4885CYP4A11 4303/4885CA12 1814/4885

“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.