SCHEMBL716700

SCHEMBL716700

O=C(O)C1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.52
AKR1C1 Q04828 1/20 0.52
MAPT P10636 2/20 0.45
NOTUM Q6P988 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
FFAR2 O15552 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR3A P46098 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL31154456 0.87 AKR1C3 (0.71) AKR1C3AKR1C1MAPTNOTUMNPC1
SCHEMBL16695399 0.87 AKR1C3 (0.71) AKR1C3AKR1C1MAPTNOTUMNPC1
SCHEMBL637532 0.82 NPC1 (0.66) AKR1C3AKR1C1MAPTNOTUMNPC1
SCHEMBL10177682 0.82 SLC9A1 (0.46) AKR1C3AKR1C1MAPTNPC1ALDH1A1
SCHEMBL16368736 0.82 SLC9A1 (0.46) AKR1C3AKR1C1MAPTNPC1ALDH1A1
SCHEMBL918204 0.82 NPC1 (0.66) AKR1C3AKR1C1MAPTNOTUMNPC1
SCHEMBL10177679 0.82 SLC9A1 (0.46) AKR1C3AKR1C1MAPTNPC1ALDH1A1
SCHEMBL16700099 0.82 AKR1C3 (0.53) AKR1C3AKR1C1NPC1RAB9A
SCHEMBL7388336 0.81 AKR1C3 (0.74) AKR1C3AKR1C1MAPTNPC1RAB9A
SCHEMBL11665023 0.81 AKR1C3 (0.74) AKR1C3AKR1C1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
EP-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
CN-112805267-A Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2021-05-14 CN disclosed
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
EP-2379525-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD Boehringer Ingelheim International GmbH (DE) 2011-10-26 EP disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
US-4109015-A PROSTAGLANDINS, LUTEOLYTIC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-22 US 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 (4 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 AKR1C3 484/4885AKR1C1 982/4885MAPT 4507/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 AKR1C3 167/4885AKR1C1 488/4885MAPT 4651/4885
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 AKR1C3 1756/4885AKR1C1 1200/4885MAPT 2066/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 AKR1C3 652/4885AKR1C1 1245/4885MAPT 4377/4885

“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.