SCHEMBL7125910

SCHEMBL7125910

OC(c1ccc2c(c1)OCO2)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMAD3 P84022 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
P4HB P07237 2/20 0.42
MAPK9 P45984 1/20 0.42
ACHE P22303 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
KDR P35968 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL12181345 0.89 PTGS1 (0.50) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL1599758 0.79 CYP3A4 (0.54) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL18626121 0.79 CYP3A4 (0.54) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL7898797 0.79 CYP3A4 (0.54) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL12086931 0.79 SLC6A4 (0.46) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL13226837 0.79 CYP2D6 (0.48) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL13440329 0.79 SLC6A4 (0.46) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL9570585 0.78 CYP3A4 (0.47) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL15165335 0.76 CYP3A4 (0.43) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL13204959 0.76 CYP2D6 (0.46) CYP3A4MAPK1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US claimed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP claimed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO claimed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
EP-2570411-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO LTD (JP) 2016-07-06 EP disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
EP-2570411-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-20 EP disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 US disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 US disclosed
CN-102892759-A Nitrogen-containing heterocyclic compound having kynurenine production inhibitory action KYOWA HAKKO KIRIN CO LTD 2013-01-23 CN disclosed
WO-2011142316-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY 協和発酵キリン株式会社 (JP) 2011-11-17 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 (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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885MAPK1 233/4885CYP1A2 1060/4885
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885MAPK1 233/4885CYP1A2 1060/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 CYP3A4 707/4885MAPK1 233/4885CYP1A2 1060/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885MAPK1 233/4885CYP1A2 1060/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 CYP3A4 492/4885MAPK1 359/4885CYP1A2 177/4885
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 723/4885MAPK1 223/4885CYP1A2 1044/4885

“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.