SCHEMBL3385153

SCHEMBL3385153

CCOc1ccc(Cl)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
KCNMA1 Q12791 1/20 0.50
LMNA P02545 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
SLC9A1 P19634 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MRGPRX1 Q96LB2 2/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL11314652 0.88 TSHR (0.51) TSHRGAAMEN1KMT2AMAPT
SCHEMBL945720 0.86 TSHR (0.65) TSHRGAAMEN1KMT2AMAPT
SCHEMBL3993311 0.86 KDM4E (0.49) TSHRGAAMEN1KMT2AMAPT
SCHEMBL17040662 0.85 ALDH1A1 (0.58) TSHRGAAMEN1KMT2AMAPT
SCHEMBL11364359 0.85 ALDH1A1 (0.55) TSHRGAAMEN1KMT2AMAPT
SCHEMBL11627993 0.85 MEN1 (0.53) TSHRGAAMEN1KMT2AMAPT
SCHEMBL11360893 0.84 PTPN11 (0.50) TSHRMEN1KMT2AMAPTHPGD
SCHEMBL17040919 0.83 SMN1; SMN2 (0.58) TSHRGAAMEN1KMT2AMAPT
SCHEMBL4364443 0.83 GAA (0.50) TSHRGAAMEN1KMT2AMAPT
SCHEMBL15423768 0.83 KCNMA1 (0.48) TSHRMEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
US-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4238506-A SECONDARY OR TERTIARY AMIDE-SUBSTITUTED BOEHRINGER MANNHEIM GMBH (DE) 1980-12-09 US disclosed
US-4221815-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US disclosed
US-4113871-A HYPOGLYCEMICALLY AND HYPOLIPIDEMICALLY ACTIVE DERIVATIVES OF PHENYL-ALKANE-CARBOXYLIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1978-09-12 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 (3 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 TSHR 332/4885GAA 2344/4885MEN1 1534/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL TSHR 3682/4885GAA 2530/4885MEN1 2695/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 TSHR 334/4885GAA 2192/4885MEN1 1218/4885

“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.