SCHEMBL5363665

SCHEMBL5363665

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
SRD5A2 P31213 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALKBH2 Q6NS38 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38

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
SCHEMBL11668400 0.82 LCK (0.58) LCKFYNMAPTCYP1A2LMNA
SCHEMBL134325 0.82 LCK (0.64) LCKFYNMAPTCYP1A2LMNA
SCHEMBL67742 0.82 CES2 (0.48) CES2MAPTGAALMNAPOLB
SCHEMBL4728302 0.82 RXRA (0.46) RXRARXRBRXRGLCKFYN
SCHEMBL5363484 0.82 CA12 (0.48) CES2RXRARXRBRXRGLCK
SCHEMBL29482054 0.82 CES2 (0.47) CES2RXRARXRBRXRGLCK
SCHEMBL12097304 0.82 GPBAR1 (0.47) CES2RXRARXRBRXRGLCK
SCHEMBL21609775 0.82 CES2 (0.47) CES2RXRARXRBRXRGLCK
SCHEMBL30738524 0.82 GPBAR1 (0.47) CES2RXRARXRBRXRGLCK
Hydrochloric Acid SCHEMBL6130934 0.81 LCK (0.61) LCKFYNMAPTCYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US 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-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
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 CN disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 CN 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
EP-0556674-B1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AG (DE) 1996-06-19 EP disclosed
US-5373024-A 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-13 US disclosed
EP-0556674-A1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP disclosed
US-4377521-A ANTILIPEMIC PFIZER INC. (US) 1983-03-22 US disclosed
US-4138399-A Sulfamylbenzoic acid PFIZER INC. (US) 1979-02-06 US disclosed
US-4124590-A CARDIOVASCULAR DISORDERS, ANTILIPEMIC AGENTS PFIZER INC. (US) 1978-11-07 US disclosed
US-3992441-A ANTILIPEMIC PFIZER INC. (US) 1976-11-16 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 (2 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 CES2 3274/4885RXRA 4477/4885RXRB 4200/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 CES2 3220/4885RXRA 4466/4885RXRB 4427/4885

“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.