SCHEMBL6139629

SCHEMBL6139629

C[S+]([O-])c1cc(OC[C@@H]2CO2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 4/20 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
SCHEMBL5204654 1.00 TDP1 (0.47) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL4809301 0.85 TDP1 (0.41) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL11155161 0.83 PKM (0.49) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL29721135 0.82 TDP1 (0.57) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL21657603 0.82 TDP1 (0.57) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL30628474 0.82 TDP1 (0.57) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL8730031 0.82 TDP1 (0.57) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL8730039 0.82 TDP1 (0.57) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL7705103 0.81 MEN1 (0.52) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL8758115 0.79 TDP1 (0.53) TDP1ALDH1A1TP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
EP-1242404-B1 PHENOXYPROPANOLAMINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-07-07 EP disclosed
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 US 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 TDP1 3042/4885ALDH1A1 637/4885TP53 4328/4885

“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.