SCHEMBL336723

SCHEMBL336723

O=C(O)COc1ccc(-c2c3nc(cc4ccc([nH]4)c(C(CCOP(=O)(O)O)CCOP(=O)(O)O)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ CYCS P99999 4/20 0.36
▸ TOP1 P11387 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE2A O00408 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ADORA2B P29275 3/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.30

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
SCHEMBL337060 0.91 STAT3 (0.40) STAT3STAT1CYCSTOP1MEN1
SCHEMBL336231 0.90 STAT3 (0.43) STAT3STAT1CYCSTOP1MEN1
SCHEMBL336654 0.87 STAT3 (0.43) STAT3STAT1CYCSTOP1ABCG2
SCHEMBL336614 0.77 STAT3 (0.36) STAT3STAT1CYCSTOP1ABCG2
SCHEMBL336446 0.77 STAT3 (0.39) STAT3STAT1CYCSTOP1ABCG2
SCHEMBL335851 0.77 STAT3 (0.42) STAT3STAT1CYCSTOP1ABCG2
SCHEMBL336440 0.75 STAT3 (0.46) STAT3STAT1CYCSTOP1ABCG2
SCHEMBL3794157 0.74 TOP1 (0.61) CYCSTOP1MEN1KMT2APDE2A
SCHEMBL29558419 0.74 TOP1 (0.61) CYCSTOP1MEN1KMT2APDE2A
SCHEMBL336271 0.71 STAT3 (0.43) STAT3STAT1CYCSTOP1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140106367-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-17 — — US disclosed
US-8530459-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2013-09-10 — — US disclosed
US-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-05 — — US disclosed
US-8097609-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-17 — — US disclosed
US-20090297456-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-03 — — US disclosed
WO-2007047925-A2 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2007-04-26 — — 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-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 2034/4885STAT1 2300/4885CYCS 3003/4885
US-20090297456-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 1926/4885STAT1 2247/4885CYCS 3035/4885

“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.

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