SCHEMBL13819754

SCHEMBL13819754

CCc1cc(I)c(C)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL23060585 0.84 PTGS2 (0.30) PTGS2
SCHEMBL12764477 0.82 THRB (0.49) PTGS2CYP1A2
SCHEMBL13019661 0.80 PTGS2 (0.37) PTGS2TP53TRPA1CYP1A2CYP2A6
SCHEMBL13209835 0.78
SCHEMBL1126255 0.78 TTR (0.52) PTGS2TRPA1CYP1A2
SCHEMBL26056808 0.76 ACHE (0.42)
SCHEMBL13474000 0.75 PTGS1 (0.44) PTGS2TRPA1
SCHEMBL8232096 0.74 HPGD (0.40)
SCHEMBL8631001 0.72 PTGS2 (0.36) PTGS2TP53TRPA1CYP1A2CYP2A6
SCHEMBL14102324 0.72 S1PR1 (0.46) PTGS2TP53TRPA1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation FARBER MICHAEL (US) 2015-07-23 US disclosed
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS FARBER MICHAEL (US) 2015-04-02 US disclosed
US-8946160-B2 Nitric oxide amino acid esters for improving vascular circulation, and prophylaxis or treatment of a condition associated with impaired blood circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2015-02-03 US disclosed
US-8883844-B2 Nitric oxide releasing amino acid ester for treatment of pulmonary hypertension and other respiratory conditions NITROGENIX INC. (VG) 2014-11-11 US disclosed
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NITROGENIX, INC. (VG) 2014-05-29 US disclosed
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2013-10-31 US disclosed
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-11-15 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 (5 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-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 PTGS2 166/4885TP53 3044/4885TRPA1 1577/4885
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 PTGS2 151/4885TP53 3441/4885TRPA1 2704/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 PTGS2 145/4885TP53 3791/4885TRPA1 3216/4885
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN NOS2, NOS3, NOS1 PTGS2 19/4885TP53 4161/4885TRPA1 129/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 PTGS2 145/4885TP53 3791/4885TRPA1 3216/4885

“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.