SCHEMBL1185665

SCHEMBL1185665

COc1c(C(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
AR P10275 1/20 0.40
GLA P06280 1/20 0.40
NR3C2 P08235 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 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
SCHEMBL27916053 0.85 TSHR (0.62) TSHRNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL1126945 0.85 TSHR (0.53) TSHRALDH1A1HTTMAPTPOLB
SCHEMBL4748764 0.83 ALDH1A1 (0.53) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL31150407 0.83 ALDH1A1 (0.53) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL1185557 0.82 GPR35 (0.53) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL15689566 0.82 ALDH1A1 (0.50) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL29686813 0.82 ALDH1A1 (0.50) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL8770713 0.82 KMT2A (0.42) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL18190808 0.81 THRB (0.46) TSHRNPSR1ALDH1A1HTTMAPT
SCHEMBL31187277 0.81 TSHR (0.45) TSHRNPSR1ALDH1A1HTTL3MBTL1

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
US-12240840-B2 Amide-substituted heterocyclic compounds for the treatment of conditions related to the modulation of IL-12, IL-23 and/or IFN-alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2025-03-04 US disclosed
CN-113227071-B Amide-substituted heterocyclic compounds for the treatment of disorders associated with modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2024-06-25 CN disclosed
US-20230020273-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CONDITIONS RELATED TO THE MODULATION OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2023-01-19 US disclosed
EP-3873892-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CONDITIONS RELATED TO THE MODULATION OF IL-12, IL-23 AND/OR IFN-ALPHA Bristol-Myers Squibb Company (US) 2021-09-08 EP disclosed
CN-113227071-A Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2021-08-06 CN disclosed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7888348-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-15 US disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 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 (6 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-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI TSHR 3978/4885NPSR1 1160/4885ALDH1A1 1889/4885
US-20230020273-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CONDITIONS RELATED TO THE MODULATION OF IL-12, IL-23 AND/OR IFN-ALPHA TYK2, IFNG, JAK3 TSHR 420/4885NPSR1 2034/4885ALDH1A1 4302/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI TSHR 3978/4885NPSR1 1160/4885ALDH1A1 1889/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI TSHR 3978/4885NPSR1 1160/4885ALDH1A1 1889/4885
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI TSHR 3978/4885NPSR1 1160/4885ALDH1A1 1889/4885
US-12240840-B2 Amide-substituted heterocyclic compounds for the treatment of conditions related to the modulation of IL-12, IL-23 and/or IFN-alpha TYK2, IFNG, JAK3 TSHR 420/4885NPSR1 2034/4885ALDH1A1 4302/4885

“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.