SCHEMBL627645

SCHEMBL627645

COc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
CES2 O00748 1/20 0.47
ADCY8 P40145 2/20 0.46
ADCY1 Q08828 2/20 0.46
NOTUM Q6P988 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL31133384 1.00 RXRA (0.51) RXRARXRBRXRGCES2ADCY8
SCHEMBL1189514 0.86 RXRA (0.48) RXRARXRBRXRGCES2ADCY8
SCHEMBL628410 0.84 PARP1 (0.50) RXRARXRBRXRGCES2ADCY8
SCHEMBL3549811 0.84 RXRA (0.47) RXRARXRBRXRGCES2ADCY8
SCHEMBL1189091 0.84 NOTUM (0.66) RXRARXRBRXRGCES2ADCY8
SCHEMBL12098032 0.84 RXRA (0.47) RXRARXRBRXRGCES2ADCY8
SCHEMBL31144953 0.84 PARP1 (0.50) RXRARXRBRXRGCES2ADCY8
SCHEMBL4729201 0.84 RXRA (0.47) RXRARXRBRXRGCA1CA2
SCHEMBL25560524 0.83 CES2 (0.44) RXRARXRBRXRGCES2NOTUM
SCHEMBL3549813 0.82 RXRA (0.44) RXRARXRBRXRGCES2ADCY8

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
EP-4722212-A1 NOVEL COMPOUND FOR INHIBITING PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Magicbullettherapeutics Co., Ltd. (KR) 2026-04-08 EP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 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 (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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 RXRA 4477/4885RXRB 4200/4885RXRG 3700/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RXRA 199/4885RXRB 279/4885RXRG 230/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH RXRA 384/4885RXRB 300/4885RXRG 304/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RXRA 199/4885RXRB 279/4885RXRG 230/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RXRA 199/4885RXRB 279/4885RXRG 230/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 RXRA 4466/4885RXRB 4427/4885RXRG 4445/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP RXRA 199/4885RXRB 279/4885RXRG 230/4885

“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.