SCHEMBL1888804

SCHEMBL1888804

O=C(O)C(Cc1ccccc1)c1ncncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.53
P4HTM Q9NXG6 1/20 0.51
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CPA3 P15088 3/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
SRR Q9GZT4 2/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL17825462 0.86 P4HTM (0.54) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL19664705 0.79 CPA1 (0.49) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL15094791 0.78 TRPA1 (0.47) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL3371471 0.77 P4HTM (0.49) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL2844865 0.76 P4HTM (0.59) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL3346811 0.74 CPB2 (0.36) CPB1CPB2HSD17B10
SCHEMBL67234 0.74 EPHX1 (0.71) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL599399 0.74 EPHX1 (0.71) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL3079795 0.74 EPHX1 (0.71) CPA1P4HTMCYP1A2EPHX1ALPI
SCHEMBL1127361 0.72 CYP1A2 (0.53) CPA1P4HTMCYP1A2EPHX1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009522265-A 2009-06-11 JP claimed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO claimed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 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
WO-2011100285-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2011-08-18 WO disclosed
US-20110112094-A1 Methods of Treating Pulmonary Hypertension TERSERA THERAPEUTICS LLC 2011-05-12 US 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS CPA1 779/4885P4HTM 325/4885CYP1A2 302/4885
US-20110112094-A1 Methods of Treating Pulmonary Hypertension TPH1, TPH2, PTGIS CPA1 715/4885P4HTM 277/4885CYP1A2 248/4885

“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.