SCHEMBL987385

SCHEMBL987385

O=C(O)c1cc(Cl)ccc1OCCF

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MRGPRX4 Q96LA9 5/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGER1 P34995 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL31497228 1.00 GAA (0.61) GAATSHRALDH1A1TP53RAB9A
SCHEMBL13951308 0.89 TSHR (0.63) GAATSHRALDH1A1TP53RAB9A
SCHEMBL12781084 0.87 GAA (0.61) GAATSHRALDH1A1TP53RAB9A
SCHEMBL31497167 0.87 TSHR (0.65) GAATSHRALDH1A1TP53MRGPRX4
SCHEMBL20521955 0.87 TSHR (0.65) GAATSHRALDH1A1TP53MRGPRX4
Hydrochloric Acid SCHEMBL1505021 0.86 GAA (0.60) GAATSHRALDH1A1TP53RAB9A
SCHEMBL929689 0.85 TSHR (0.63) GAATSHRALDH1A1TP53RAB9A
Hydrochloric Acid SCHEMBL1505162 0.84 GAA (0.58) GAATSHRALDH1A1TP53RAB9A
SCHEMBL20522075 0.84 GAA (0.61) GAATSHRALDH1A1TP53MRGPRX4
SCHEMBL1153890 0.83 GAA (0.60) GAATSHRALDH1A1MRGPRX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2026-05-19 US disclosed
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2022-03-24 US disclosed
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2021-12-28 US disclosed
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2020-04-09 US disclosed
EP-3601274-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 Perenna Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
CN-110709394-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2020-01-17 CN disclosed
WO-2018178304-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2018-10-04 WO disclosed
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
EP-2344463-A2 1,2 -THIAZOL YL DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
WO-2010054024-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-05-14 WO disclosed
EP-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO 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 (7 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R GAA 4851/4885TSHR 192/4885ALDH1A1 1737/4885
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885ALDH1A1 65/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 GAA 263/4885TSHR 3727/4885ALDH1A1 511/4885
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885ALDH1A1 65/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4657/4885TSHR 292/4885ALDH1A1 1465/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4687/4885TSHR 285/4885ALDH1A1 1518/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885ALDH1A1 65/4885

“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.