SCHEMBL723465

SCHEMBL723465

Cc1cccc(C2OC=CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
HTR2C P28335 3/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.41
HPN P05981 1/20 0.41
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.38
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
ALOX15B O15296 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PBRM1 Q86U86 1/20 0.36

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
SCHEMBL8054098 0.77 KMT2A (0.44) ACHEHTR2CKMT2AMEN1HTR2A
SCHEMBL13818128 0.77 HTR2C (0.47) ACHEHTR2CKMT2AMEN1HTR2A
SCHEMBL9946122 0.75 KMT2A (0.44) ACHEHTR2CKMT2AMEN1HTR2A
SCHEMBL2469369 0.74 TAAR1 (0.42) HTR2CKMT2AMEN1HTR2AHTR2B
SCHEMBL921104 0.74 ALDH1A1 (0.46) ACHEHTR2CKMT2AMEN1HTR2A
SCHEMBL264648 0.74 KDM1A (0.47) HTR2CKMT2AMEN1HTR2AHTR2B
SCHEMBL3124390 0.74 TAAR1 (0.42) ACHEHTR2CHTR2AHTR2BNPC1
SCHEMBL3117055 0.74 IDO1 (0.31)
SCHEMBL7833417 0.74 CYP3A4 (0.46) KMT2AMEN1CYP19A1ALDH1A1MAPK1
SCHEMBL746723 0.74 HTR2C (0.49) ACHEHTR2CKMT2AMEN1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 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 (2 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-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA ACHE 1045/4885HTR2C 168/4885KMT2A 4702/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R ACHE 3118/4885HTR2C 78/4885KMT2A 3427/4885

“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.