SCHEMBL1822656

SCHEMBL1822656

NCc1ccc(CB(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.56
ABAT P80404 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
LOXL2 Q9Y4K0 7/20 0.48
F10 P00742 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
TPSAB1 Q15661 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ENPP2 Q13822 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 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
Methyl Alcohol SCHEMBL22528993 0.80 ABAT (0.67) F11ABATHRH3LOXL2F10
SCHEMBL19692606 0.79 ALDH1A1 (0.50) F11LOXL2CA6CA14
SCHEMBL15828 0.76 HRH3 (0.79) F11ABATHRH3LOXL2F10
SCHEMBL27238704 0.76 HRH3 (0.79) F11ABATHRH3LOXL2F10
SCHEMBL15740559 0.76 ESR1 (0.52) ABATTAAR1ENPP2CA12CA1
SCHEMBL1358563 0.74 IDO1 (0.46) TAAR1ENPP2
SCHEMBL22010359 0.74 CYP3A4 (0.41)
SCHEMBL15106880 0.74 CA1 (0.46) TAAR1CA1CA2
SCHEMBL3568612 0.74 IDO1 (0.46) LOXL2TAAR1
SCHEMBL1356833 0.74 IDO1 (0.46) TAAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 US disclosed
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 EP disclosed
EP-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 EP disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 US disclosed
US-20060089312-A1 Protease inhibitors BACH BIOSCIENCES, LLC 2006-04-27 US disclosed
EP-1499336-A4 PROTEASE INHIBITORS TUFTS COLLEGE (US) 2005-06-01 EP disclosed
EP-1499336-A2 PROTEASE INHIBITORS Trustees of Tufts College (US) 2005-01-26 EP disclosed
WO-2003092605-A9 PROTEASE INHIBITORS TUFTS COLLEGE (US) 2004-04-08 WO disclosed
WO-2003092605-A2 PROTEASE INHIBITORS TRUSTEES OF TUFTS COLLEGE (US) 2003-11-13 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 (4 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC F11 954/4885ABAT 2677/4885HRH3 4306/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC F11 954/4885ABAT 2677/4885HRH3 4306/4885
US-20060089312-A1 Protease inhibitors FAP, PREP, TFPI F11 873/4885ABAT 2795/4885HRH3 4406/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC F11 954/4885ABAT 2677/4885HRH3 4306/4885

“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.