SCHEMBL498576

SCHEMBL498576

CCCCCCC#Cc1ccc(-c2cccs2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
ADORA2B P29275 1/20 0.44
KCNH2 Q12809 1/20 0.42
DPP4 P27487 3/20 0.40
ADORA1 P30542 2/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL498743 0.94 ADORA3 (0.46) ADORA3ADORA2AADORA2BDPP4ADORA1
SCHEMBL8010092 0.87 DPP4 (0.40) ADORA3ADORA2AADORA2BKCNH2DPP4
SCHEMBL13139110 0.87 KCNH2 (0.46) KCNH2DPP4CNR1CNR2
SCHEMBL13139113 0.87 KCNH2 (0.46) KCNH2DPP4CNR1CNR2
SCHEMBL498431 0.83 DPP4 (0.46) DPP4LTA4HKDM4EALDH1A1NPC1
SCHEMBL1897640 0.81 KCNH2 (0.50) ADORA3ADORA2AADORA2BKCNH2ADORA1
SCHEMBL7684841 0.81 KCNH2 (0.50) ADORA3ADORA2AADORA2BKCNH2ADORA1
SCHEMBL498705 0.80 DPP4 (0.49) DPP4LTA4HKDM4EALDH1A1NPC1
SCHEMBL8570077 0.80 LTA4H (0.42) ADORA3ADORA2AADORA2BDPP4LTA4H
SCHEMBL498785 0.80 DPP4 (0.51) ADORA3ADORA2AADORA2BDPP4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 EP disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 US disclosed
US-8968715-B2 Drug delivery systems for photodynamic therapy THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-03 US disclosed
US-8852629-B2 Drug delivery system for hydrophobic drugs VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2014-10-07 US disclosed
EP-1357912-B9 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-06-13 EP disclosed
EP-1357912-B1 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-04-25 EP disclosed
US-20120041356-A1 PHOTODYNAMIC THERAPY FOR CONDITIONS OF THE EYE QLT INC. (CA) 2012-02-16 US disclosed
US-8106038-B2 Method for reducing or preventing PDT related inflammation QLT INC. (CA) 2012-01-31 US disclosed
EP-2379109-A1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE Qlt Inc. (CA) 2011-10-26 EP disclosed
US-8034803-B2 Treating an occult choroidal neovascular lesion QLT INC. (CA) 2011-10-11 US disclosed
WO-2002062386-A2 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QLT INC. (CA) 2002-08-15 WO disclosed
WO-2002062384-A2 REDUCED FLUENCE RATE PDT QLT INC. (CA) 2002-08-15 WO disclosed
WO-2002062385-A2 METHOD TO PREVENT VISION LOSS QLT, INC. (CA) 2002-08-15 WO disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 US disclosed
WO-2001085213-A2 SUPPORTS FOR PHOTOSENSITIZER FORMULATIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001085212-A2 DRUG DELIVERY SYSTEMS FOR PHOTODYNAMIC THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 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-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA ADORA3 3708/4885ADORA2A 2209/4885ADORA2B 2119/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 ADORA3 4477/4885ADORA2A 3824/4885ADORA2B 3882/4885

“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.