SCHEMBL6887591

SCHEMBL6887591

CC(C)(C)OC(=O)NC1(CO)CC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSL P07711 1/20 0.35
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CYP2D6 P10635 1/20 0.33
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
CTSK P43235 2/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.32
ASGR1 P07306 1/20 0.32
CTSS P25774 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL22380429 0.89 CTSL (0.35) APLNRTDP1CA1CA2CA7
SCHEMBL22644386 0.86
SCHEMBL30365335 0.85 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL22633505 0.84 CA12 (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL30994127 0.83 TDP1 (0.37) APLNRTDP1CA1CA2CA7
SCHEMBL56916 0.82 TDP1 (0.41) APLNRTDP1CA1CA2CA7
SCHEMBL29674156 0.81 TDP1 (0.35) APLNRTDP1CA1CA2CA7
SCHEMBL1368840 0.79 P2RX7 (0.40) APLNRTDP1CA1CA2CA7
SCHEMBL5521873 0.79 P2RX7 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL6886960 0.79 KMT2A (0.40) APLNRTDP1MEN1KMT2AMAPK1

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-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2022-11-08 US disclosed
EP-3966205-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-16 EP disclosed
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-08 US disclosed
WO-2020225230-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-11-12 WO disclosed
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
CN-111448199-A Novel highly active amino-thiazole-substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-07-24 CN disclosed
CN-102971286-B New cathepsin S protease inhibitors for the treatment of e.g. autoimmune disorders, allergy and chronic pain conditions MEDIVIR UK LTD. (GB) 2015-08-26 CN disclosed
EP-2582660-B1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LTD (GB) 2015-07-22 EP disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 EP disclosed
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2013-07-04 US disclosed
WO-2012172473-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-20 WO disclosed
WO-2012168852-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-13 WO disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 US disclosed
WO-2011158197-A1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LIMITED (GB) 2011-12-22 WO disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO 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 (8 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV APLNR 3431/4885TDP1 4018/4885CA1 455/4885
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 APLNR 625/4885TDP1 4673/4885CA1 4473/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 APLNR 3877/4885TDP1 3912/4885CA1 703/4885
US-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases HDGF, HAVCR2, FABP1 APLNR 726/4885TDP1 4718/4885CA1 4161/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 APLNR 3589/4885TDP1 3521/4885CA1 768/4885
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 APLNR 3845/4885TDP1 3966/4885CA1 3303/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 APLNR 3670/4885TDP1 3811/4885CA1 3430/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 APLNR 3507/4885TDP1 3646/4885CA1 608/4885

“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.