SCHEMBL5540436

SCHEMBL5540436

O=[C]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CES2 O00748 1/20 0.41
DAO P14920 2/20 0.41
TAAR1 Q96RJ0 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MTOR P42345 1/20 0.38
MLYCD O95822 1/20 0.37
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
SOD1 P00441 1/20 0.36
TACR1 P25103 4/20 0.36
ACP3 P15309 1/20 0.35

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
SCHEMBL6211647 0.88 RXRA (0.41) IDO1DAOTAAR1RXRARXRB
SCHEMBL16956811 0.86 P2RX1 (0.38) IDO1TAAR1P2RX1TMPRSS4TACR1
SCHEMBL5540305 0.82 IDO1 (0.47) IDO1CES2DAOTAAR1RXRA
SCHEMBL1758495 0.79 TAAR1 (0.59) IDO1DAOTAAR1ACP3
SCHEMBL1838110 0.78 DAO (0.45) IDO1CES2DAOTAAR1RXRA
SCHEMBL3246600 0.77 TAAR1 (0.54) IDO1CES2DAOTAAR1
SCHEMBL624792 0.77 IDO1 (0.47) IDO1CES2DAOTAAR1RXRA
SCHEMBL1776129 0.73 IDO1 (0.52) IDO1CES2DAOTAAR1RXRA
SCHEMBL5541662 0.72 DAO (0.41) IDO1CES2DAOTACR1
SCHEMBL2096262 0.72 IDO1 (0.57) IDO1CES2DAOMTORMLYCD

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-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 US claimed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1515259-A 4-aminosubstituted-2-substituted-1,2,3,4-tetrahydroquinoline used as CETP inhibitor �������Զ�˹�Ʒ� 2004-07-28 CN disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-5892038-A ENZYME INHIBITORS FOR TREATMENT OF DISEASES SUCH AS MALARIA PHARMACOPEIA, INC. (US) 1999-04-06 US disclosed
US-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 US disclosed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US disclosed
WO-1995011895-A1 N-BENZOYL-4-OXY/THIO-2-SUBSTITUTED PIPERIDINES AS SUBSTANCE-P RECEPTOR ANTAGONISTS CIBA-GEIGY AG (CH) 1995-05-04 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885CES2 3025/4885DAO 1115/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 IDO1 749/4885CES2 419/4885DAO 2343/4885

“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.