SCHEMBL985659

SCHEMBL985659

O=C(O)c1cc(Cl)ccc1OCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LCLAT1 Q6UWP7 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL20303533 0.86 ALDH1A1 (0.51) GAATSHRKDM4EALDH1A1MEN1
SCHEMBL978291 0.83 KDM4E (0.71) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL20521864 0.83 KDM4E (0.51) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5612784 0.83 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP2C9NPSR1
SCHEMBL20521955 0.82 TSHR (0.65) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL31497167 0.82 TSHR (0.65) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL1487907 0.81 KDM4E (0.51) GAATSHRKDM4EALDH1A1MEN1
SCHEMBL20521847 0.81 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AMRGPRX4
Hydrochloric Acid SCHEMBL10754121 0.81 KDM4E (0.69) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL31497228 0.79 GAA (0.61) GAATSHRKDM4EALDH1A1MAPT

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 192/4885KDM4E 2641/4885
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885KDM4E 3391/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 GAA 263/4885TSHR 3727/4885KDM4E 3151/4885
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885KDM4E 3391/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4657/4885TSHR 292/4885KDM4E 1749/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4687/4885TSHR 285/4885KDM4E 1716/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 GAA 53/4885TSHR 3322/4885KDM4E 3391/4885

“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.