SCHEMBL16790464

SCHEMBL16790464

Cc1cc(C#N)cc2c1C(=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.35
AR P10275 1/20 0.35
CETP P11597 4/20 0.35
DRD2 P14416 1/20 0.33
ESR2 Q92731 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
MAPK1 P28482 1/20 0.32
NR1H2 P55055 1/20 0.32
CTSK P43235 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL16790461 0.81 ESR2 (0.34) ESR2PIK3CAMTORMAPK1NR1H2
SCHEMBL22374272 0.79 PIK3CA (0.44) GPR119ARDRD2PIK3CAMTOR
SCHEMBL16790426 0.78 HDAC1 (0.39) DRD2ESR2PIK3CAMTORNR1H2
SCHEMBL20184050 0.77 PIK3CA (0.44) GPR119ARDRD2ESR2PIK3CA
SCHEMBL17058898 0.74 ESR2 (0.33) ESR2PIK3CAMTORNR1H2
SCHEMBL21520896 0.70 USP30 (0.39) GPR119ESR2PIK3CAMTORMAPK1
SCHEMBL18053903 0.69 GPR119 (0.38) GPR119NR1H2EGLN2
SCHEMBL31643715 0.69 HSP90AA1 (0.37) ESR2PIK3CAMTORNR1H2
SCHEMBL13656966 0.68 GPR119 (0.47) GPR119DRD2ESR2
SCHEMBL15187863 0.68 PIK3CA (0.39) GPR119ESR2PIK3CAMTORMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 EP disclosed
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs Han, Jie (US) 2020-04-21 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 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 (3 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-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs NOS2, EGLN2, HPGD GPR119 363/4885AR 2446/4885CETP 1036/4885
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD GPR119 363/4885AR 2446/4885CETP 1036/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD GPR119 363/4885AR 2446/4885CETP 1036/4885

“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.