SCHEMBL499288

SCHEMBL499288

Cc1ccsc1-c1sc(-c2sccc2C)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.47
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2E1 P05181 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
PGR P06401 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 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
SCHEMBL14832521 0.89 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL722595 0.87 CYP2A6 (0.56) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL13799478 0.78 CYP2A6 (0.41) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL21751219 0.76 CYP2A6 (0.40) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL15709702 0.76 CYP2A6 (0.44) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL498545 0.75 CYP2A6 (0.47) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL8463711 0.75 CYP2A6 (0.47) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL24396882 0.74 CYP2A6 (0.41) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL13130594 0.74 CYP2A6 (0.61) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL22734813 0.73 CYP2A6 (0.46) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050134-B9 PHOTOACTIVE ORGANIC MATERIAL FOR OPTOELECTRONIC COMPONENTS HELIATEK GMBH (DE) 2021-10-27 EP disclosed
EP-3050134-B1 PHOTOACTIVE ORGANIC MATERIAL FOR OPTOELECTRONIC COMPONENTS HELIATEK GMBH (DE) 2021-05-05 EP disclosed
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
US-20020156062-A1 Drug delivery system for hydrophobic drugs BAUSCH HEALTH COMPANIES INC. (CA) 2002-10-24 US disclosed
WO-2002064163-A2 REDUCTION OR PREVENTION OF PDT RELATED INFLAMMATION QLT INC. (CA) 2002-08-22 WO 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
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-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 (3 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-20020156062-A1 Drug delivery system for hydrophobic drugs LIPA, MLEC, ABCG2 CYP2A6 284/4885CYP3A4 809/4885CYP2C19 965/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA CYP2A6 1221/4885CYP3A4 1095/4885CYP2C19 588/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 CYP2A6 2844/4885CYP3A4 3319/4885CYP2C19 4077/4885

“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.