SCHEMBL308018

SCHEMBL308018

Fc1cccc(F)c1.O=CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ACHE P22303 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
NPC1 O15118 1/20 0.41
CHRM5 P08912 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNN4 O15554 3/20 0.41
MTOR P42345 1/20 0.41
PARP1 P09874 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
Formamide SCHEMBL28259731 0.79 NFE2L2 (0.50) NFE2L2CES2CES1ACHECYP1A2
SCHEMBL27346065 0.79 NFE2L2 (0.50) NFE2L2CES2CES1ACHECYP1A2
Acetaldehyde SCHEMBL27733913 0.79 ACHE (0.52) NFE2L2CES2CES1ACHECYP1A2
Formic Acid SCHEMBL28116822 0.79 CES2 (0.52) NFE2L2CES2CES1ACHECYP1A2
SCHEMBL13329 0.78
SCHEMBL28165692 0.77 PTPN1 (0.39) PTPN1CYP1A2CYP3A4CYP2D6
Formaldehyde SCHEMBL27503397 0.75 ACHE (0.52) NFE2L2CES2CES1ACHECYP1A2
Chloromethane SCHEMBL27906347 0.75 ACHE (0.60) NFE2L2CES2CES1ACHECYP1A2
SCHEMBL28445505 0.74 ACHE (0.58) NFE2L2CES2CES1ACHECYP1A2
Hydrochloric Acid SCHEMBL1701450 0.74

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
CN-103265495-B Multicyclic amino acid derivatives and using method thereof 莱西肯医药有限公司 2016-11-16 CN disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer LEXICON PHARMACEUTICALS, INC. 2012-12-13 US disclosed
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
CN-102711749-A Tryptophan hydroxylase inhibitors for the treatment of cancer LEXICON PHARMACEUTICALS INC 2012-10-03 CN disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 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 (7 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS NFE2L2 2071/4885CES2 749/4885CES1 744/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT NFE2L2 1935/4885CES2 1577/4885CES1 1137/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 NFE2L2 1867/4885CES2 465/4885CES1 1312/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 NFE2L2 1835/4885CES2 3984/4885CES1 1742/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT NFE2L2 2591/4885CES2 176/4885CES1 558/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT NFE2L2 2591/4885CES2 768/4885CES1 680/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB NFE2L2 3830/4885CES2 101/4885CES1 286/4885

“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.