SCHEMBL766178

SCHEMBL766178

CC(=O)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ DDR1 Q08345 8/20 0.45
▸ ACLY P53396 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ SLC13A3 Q8WWT9 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL96116 0.86 CES2 (0.67) CES2RXRARXRBRXRGHDAC3
SCHEMBL15515997 0.84 CES2 (0.43) CES2DDR1ACLYHDAC3HDAC1
SCHEMBL21484024 0.82 GAA (0.42) RXRARXRBRXRGACLYCNR1
SCHEMBL978457 0.82 TPMT (0.61) CES2RXRARXRBRXRGDDR1
SCHEMBL1792413 0.82 CES2 (0.52) CES2DDR1ACLYHDAC3HDAC1
SCHEMBL29556456 0.82 TPMT (0.61) CES2RXRARXRBRXRGDDR1
Formaldehyde SCHEMBL459554 0.82 CES2 (0.61) CES2RXRARXRBRXRGHDAC3
SCHEMBL980627 0.81 CES2 (0.50) CES2DDR1ACLYHDAC3HDAC1
SCHEMBL2242247 0.81 CES2 (0.50) CES2DDR1ACLYHDAC3HDAC1
SCHEMBL630815 0.80 NOTUM (0.66) CES2DDR1ACLYNOTUMSLC13A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 — — US disclosed
CN-113651710-A Preparation method of 3, 5-substituted-4-amino trifluoro acetophenone and its derivative 杭州臻挚生物科技有限公司 2021-11-16 — — CN disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 — — US disclosed
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 — — EP disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 — — CN disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 — — US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 — — WO disclosed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 — — EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
EP-1812433-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2015-07-22 — — EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 — — US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 — — US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 — — US disclosed
US-20070270400-A1 New compounds 303 ALBIREO AB (SE) 2007-11-22 — — US disclosed
US-20070270399-A1 New compounds 302 ALBIREO AB (SE) 2007-11-22 — — US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 — — EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 — — US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 — — EP 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 CES2 3053/4885RXRA 23/4885RXRB 53/4885
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 CES2 85/4885RXRA 1728/4885RXRB 1614/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 CES2 822/4885RXRA 1996/4885RXRB 1381/4885
US-20070270400-A1 New compounds 303 CYP11B2, CYP11B1, SDHA CES2 1535/4885RXRA 2603/4885RXRB 2131/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR CES2 2072/4885RXRA 3021/4885RXRB 2702/4885
US-20070270399-A1 New compounds 302 CYP11B2, CYP11B1, CYP4B1 CES2 1474/4885RXRA 2228/4885RXRB 1481/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 CES2 822/4885RXRA 1996/4885RXRB 1381/4885

“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.

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