SCHEMBL18645311

SCHEMBL18645311

CC(C)(C)OC(=O)[C@H](CCCNCc1ccccc1)NC(=O)CCc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.50
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ GRIA1 P42261 1/20 0.39

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
SCHEMBL18882492 0.97 TRPV1 (0.49) TRPV1MEN1MAPTKMT2ANPSR1
SCHEMBL18645309 0.83 ITGB3 (0.41) TRPV1MMP1MMP3MMP9ALDH1A1
SCHEMBL18882491 0.82 ITGB3 (0.42) TRPV1
SCHEMBL18645310 0.81 FOLH1 (0.43) MEN1MAPTKMT2ANPSR1FOLH1
SCHEMBL13492840 0.79 MMP1 (0.48) MEN1MAPTKMT2ANPSR1CTSK
SCHEMBL30887591 0.75 ACE (0.60) MEN1MAPTKMT2AMMP1MMP3
SCHEMBL30291800 0.75 ACE (0.60) MEN1MAPTKMT2AMMP1MMP3
SCHEMBL11977591 0.75 FOLH1 (0.61) MEN1MAPTKMT2ANPSR1FOLH1
SCHEMBL27706581 0.74 CASP1 (0.50) MAPTCTSKMMP1MMP3MMP9
SCHEMBL2063189 0.74 CASP1 (0.50) MAPTCTSKMMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200330625-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER On Target Laboratories, Inc. 2020-10-22 — — US disclosed
US-20170145035-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER On Target Laboratories, Inc. 2017-05-25 — — US disclosed
US-20170145035-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER On Target Laboratories, Inc. 2017-05-25 — — US disclosed
WO-2017044443-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER On Target Laboratories, LLC (US) 2017-03-16 — — WO disclosed
WO-2017044445-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER On Target Laboratories, LLC (US) 2017-03-16 — — 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-20170145035-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER ERAL1, TK2, PYCR1 TRPV1 811/4885MEN1 2663/4885MAPT 2188/4885
US-20200330625-A1 SYNTHESIS AND COMPOSITION OF PHOTODYNAMIC THERAPEUTIC AGENTS FOR THE TARGETED TREATMENT OF CANCER ERAL1, TK2, PYCR1 TRPV1 811/4885MEN1 2663/4885MAPT 2188/4885

“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.

Send feedback