Sugi Predict

Sugi Predict / Compounds / SCHEMBL692734

SCHEMBL692734

SCHEMBL692734

CC(C)(C)NC(=O)c1ccc(C(O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ ELANE P08246 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1508030 0.93 POLB (0.50) LMNAHTTPOLBMAPTSIRT2
SCHEMBL1507761 0.93 HPGD (0.49) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL9914964 0.92 EPHX2 (0.43) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL1508016 0.92 POLB (0.50) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL1507990 0.89 MAPT (0.53) LMNAELANEMAPTSMN1; SMN2NR1H4
SCHEMBL1507969 0.86 NPC1 (0.40) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL17865779 0.85 LMNA (0.58) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL10169241 0.85 PRKAB2 (0.52) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL10075552 0.85 PRKAB2 (0.49) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL1507916 0.84 SMN1; SMN2 (0.54) LMNAHTTMAPTSMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 — — US disclosed
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 — — US disclosed
EP-2212301-B1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2012-02-29 — — EP disclosed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 — — US disclosed
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 — — EP disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 — — US disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 — — US disclosed
EP-2212301-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES Fresenius Kabi Oncology Limited (IN) 2010-08-04 — — EP disclosed
WO-2009069140-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES DABUR PHARMA LIMITED (IN) 2009-06-04 — — WO disclosed
WO-1997026252-A1 INSECTICIDAL N-HETEROCYCLYLALKYL- OR N-[(POLYCYCLYL)-ALKYL]-N'-SUBSTITUTED PIPERAZINES FMC CORPORATION (US) 1997-07-24 — — WO disclosed
US-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 — — US disclosed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 — — US disclosed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 — — EP disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 — — US disclosed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 — — US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 — — US disclosed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 — — US disclosed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 — — US disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 — — 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-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 LMNA 3384/4885HTT 4623/4885PRKAB2 864/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 LMNA 629/4885HTT 4588/4885PRKAB2 1252/4885

“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.