SCHEMBL3136060

SCHEMBL3136060

CC(C)(C)NCc1c(O)ccc(CO)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
ADRB1 P08588 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PMP22 Q01453 1/20 0.38
KLF10 Q13118 1/20 0.38
LMNA P02545 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL594098 0.83 ADRB2 (0.44) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL30169480 0.83 ADRB2 (0.44) ADRB2HIF1ACYP1A2CYP2D6TSHR
Sulfuric Acid SCHEMBL21825446 0.77 PMP22 (0.50) ADRB2HIF1ACYP1A2CYP2D6TSHR
Sulfuric Acid SCHEMBL2524101 0.77 PMP22 (0.50) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL3134510 0.75 PDCD1LG2 (0.43) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL11278988 0.71 HIF1A (0.40) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL7819833 0.70 ADRB2 (0.55) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL30254390 0.69 PMP22 (0.40) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL3135872 0.69 ADRB1 (0.43) ADRB2HIF1ACYP1A2CYP2D6TSHR
Water SCHEMBL28944323 0.68 PMP22 (0.39) ADRB2HIF1ACYP1A2CYP2D6TSHR

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 9 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
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 ADRB2 1/4885HIF1A 2127/4885CYP1A2 324/4885
US-20060235048-A1 Treatment of connective tissue diseases of the skin ADRB2, ADRB1, ADRA2A ADRB2 1/4885HIF1A 2127/4885CYP1A2 324/4885
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A ADRB2 1/4885HIF1A 2127/4885CYP1A2 324/4885
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A ADRB2 1/4885HIF1A 2127/4885CYP1A2 324/4885

“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.