SCHEMBL4430003

SCHEMBL4430003

CC(C)(CO)Cc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11161013 0.84 LMNA (0.54) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL6893902 0.80 ESR1 (0.34) LMNAESR1ESR2SLC6A2TAAR1
SCHEMBL1031401 0.77 ESR1 (0.38) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL113690 0.77 SLC6A2 (0.54) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL11507873 0.77 BLM (0.48) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL12982203 0.77 ESR1 (0.38) ESR1ESR2SLC6A2TAAR1
SCHEMBL23005 0.77 ESR1 (0.52) LMNAESR1ESR2SLC6A2TAAR1
SCHEMBL2958721 0.76 CYP1A2 (0.47) MEN1GMNNGABBR2ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28282036 0.76 SLC6A2 (0.52) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL1655425 0.76 ALDH1A1 (0.47) MEN1GMNNGABBR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
EP-2121672-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-25 EP disclosed
EP-1996546-A2 SUBSTITUTED GAMMA LACTAMS AS PROSTAGLANDIN EP2 AGONISTS Allergan, Inc. (US) 2008-12-03 EP disclosed
WO-2008094912-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-08-07 WO disclosed
EP-1877050-A1 SUBSTITUTED BETA-LACTAMS AND THEIR USE IN MEDICINE Allergan, Inc. (US) 2008-01-16 EP disclosed
EP-1856042-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-11-21 EP disclosed
WO-2007109578-A2 SUBSTITUTED GAMMA LACTAMS AS PROSTAGLANDIN EP2 AGONISTS ALLERGAN, INC. (US) 2007-09-27 WO disclosed
WO-2006121708-A1 SUBSTITUTED BETA-LACTAMS AND THEIR USE IN MEDICINE ALLERGAN, INC. (US) 2006-11-16 WO disclosed
WO-2006098918-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2006-09-21 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 (1 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 MEN1 2966/4885GMNN 3035/4885GABBR2 2147/4885

“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.