SCHEMBL3134510

SCHEMBL3134510

CC(C)(C)NCc1cccc(CO)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 3/20 0.43
CD274 Q9NZQ7 3/20 0.43
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL17788591 0.81 PNMT (0.50) PDCD1LG2CD274MEN1PKMKMT2A
SCHEMBL16960713 0.78 PNMT (0.44) CD274KDM4ECYP1A2TSHRALDH1A1
SCHEMBL17788600 0.76 PDCD1LG2 (0.50) PDCD1LG2CD274MEN1PKMKMT2A
SCHEMBL3131415 0.75 BCHE (0.46) PDCD1LG2CD274KMT2AKDM4EADRB2
SCHEMBL28829256 0.75 GABRA1 (0.54) PDCD1LG2CD274MEN1PKMKMT2A
SCHEMBL3136060 0.75 ADRB2 (0.42) PDCD1LG2CD274NPC1KDM4EHTT
SCHEMBL22548784 0.74 KDM4E (0.49) PDCD1LG2CD274MEN1PKMKMT2A
SCHEMBL13900350 0.73 NPC1 (0.50) MEN1PKMKMT2ANPC1ADRB2
SCHEMBL16950743 0.72 GABRA1 (0.50) CD274HTTALDH1A1
SCHEMBL22957884 0.72 APOBEC3G (0.48)

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-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN CIPHER PHARMACEUTICALS INC. (CA) 2019-05-02 US disclosed
US-9907765-B2 Treatment of connective tissue diseases of the skin CIPHER PHARMACEUTICALS INC. (CA) 2018-03-06 US disclosed
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2017-06-08 US disclosed
US-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEVELOPMENT A/S (DK) 2013-09-12 US disclosed
US-8426475-B2 Treatment of connective tissue diseases of the skin ASTION DEVELOPMENT A/S (DK) 2013-04-23 US disclosed
EP-1719507-B1 Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin ASTION DEV AS (DK) 2010-07-14 EP disclosed
WO-2006108424-A9 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEV AS (DK) 2007-08-09 WO disclosed
EP-1719507-A1 Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin Astion Development A/S (DK) 2006-11-08 EP disclosed
WO-2006108424-A2 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2006-10-19 WO disclosed
US-20060235048-A1 Treatment of connective tissue diseases of the skin ASTION DEVELOPMENT A/S 2006-10-19 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 (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-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A PDCD1LG2 1945/4885CD274 1215/4885MEN1 3155/4885
US-20060235048-A1 Treatment of connective tissue diseases of the skin ADRB2, ADRB1, ADRA2A PDCD1LG2 1945/4885CD274 1215/4885MEN1 3155/4885
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A PDCD1LG2 1945/4885CD274 1215/4885MEN1 3155/4885
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A PDCD1LG2 1945/4885CD274 1215/4885MEN1 3155/4885

“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.