SCHEMBL4159980

SCHEMBL4159980

COc1cc(N[C@@H](CO)C(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
BLM P54132 1/20 0.49
FOLH1 Q04609 2/20 0.47
CYP3A4 P08684 3/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.46
MMP1 P03956 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 2/20 0.43

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
SCHEMBL4159978 1.00 TSHR (0.49) TSHRNPSR1BLMFOLH1CYP3A4
Normetanephrine SCHEMBL4220340 0.87 NFKB1 (0.63) TSHRNPSR1BLMFOLH1CYP3A4
Acetic Acid SCHEMBL11500096 0.86 HTT (0.48) TSHRNPSR1BLMFOLH1CYP3A4
SCHEMBL3129051 0.84 FPR2 (0.60) TSHRGAAALDH1A1KMT2AALOX15
SCHEMBL5101470 0.83 LMNA (0.55) TSHRNPSR1BLMFOLH1GAA
SCHEMBL300286 0.82 ERCC1 (0.46) TSHRNPSR1BLMGAANFKB1
SCHEMBL300287 0.82 ERCC1 (0.46) TSHRNPSR1BLMGAANFKB1
SCHEMBL9413247 0.81 TSHR (0.53) TSHRNPSR1BLMFOLH1GAA
SCHEMBL9069063 0.81 TSHR (0.53) TSHRNPSR1BLMFOLH1GAA
Hydrochloric Acid SCHEMBL15266596 0.80 ERCC1 (0.45) TSHRNPSR1BLMGAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221552-A1 Methods for the Treatment of ADHD and Related Disorders THE MCLEAN HOSPITAL CORPORATION (US) 2009-09-03 US claimed
WO-2007100777-A2 METHODS FOR THE TREATMENT OF ADHD AND RELATED DISORDERS THE MCLEAN HOSPITAL CORPORATION (US) 2007-09-07 WO claimed
US-6403645-B2 Antidepressant effect of norepinephrine uptake 2 inhibitors and combined medications including them PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-06-11 US claimed
US-20020013312-A1 Antidepressant effect of norepinephrine uptake 2 inhibitors and combined medications including them PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-01-31 US claimed
CN-118834920-A Method for synthesizing tanshinol by using chemical enzyme cascade system 南京工业大学 2024-10-25 CN disclosed
WO-2009134877-A2 THERAPEUTICS FOR TREATMENT RESISTANT MENTAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-05 WO disclosed
US-20090221552-A1 Methods for the Treatment of ADHD and Related Disorders THE MCLEAN HOSPITAL CORPORATION (US) 2009-09-03 US disclosed
WO-2007100777-A2 METHODS FOR THE TREATMENT OF ADHD AND RELATED DISORDERS THE MCLEAN HOSPITAL CORPORATION (US) 2007-09-07 WO disclosed
US-20070116643-A1 Novel aryloxypropanamines CONCERT PHARMACEUTICALS INC. (US) 2007-05-24 US disclosed
WO-2007005644-A2 NOVEL ARYLOXYPROPANAMINES CONCERT PHARMACEUTICALS INC. (US) 2007-01-11 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 (1 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-20090221552-A1 Methods for the Treatment of ADHD and Related Disorders SLC6A3, SLC6A2, SLC6A4 TSHR 2273/4885NPSR1 859/4885BLM 3551/4885

“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.