SCHEMBL404394

SCHEMBL404394

O=C(O)c1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.71
C1S P09871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
AURKB Q96GD4 1/20 0.47
PLK3 Q9H4B4 1/20 0.47

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
Hydrochloric Acid SCHEMBL8186534 0.98 PLK1 (0.69) PLK1C1SHSD17B10PLK4AURKA
SCHEMBL3495208 0.87 MAPK14 (0.56) PLK1PLK4DAPK3CHEK2CDK1
SCHEMBL1799551 0.87 PLK1 (0.72) PLK1C1SALDH1A1L3MBTL1GAA
SCHEMBL3054006 0.87 PLK1 (0.68) PLK1C1SALDH1A1L3MBTL1GAA
SCHEMBL1963231 0.87 PLK1 (0.68) PLK1C1SPLK4AURKADAPK3
SCHEMBL403196 0.86 PLK1 (0.71) PLK1C1SALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL8189425 0.84 PLK1 (0.53) PLK1ALDH1A1L3MBTL1GAAS1PR1
SCHEMBL8189536 0.81 PLK1 (0.60) PLK1C1SALDH1A1L3MBTL1GAA
SCHEMBL6925254 0.81 C1S (0.68) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL1029314 0.80 PLK1 (0.62) PLK1HSD17B10ALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233532-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 AGONIST AND LIPOSOMAL FORMULATIONS THEREOF THE PENN STATE RESEARCH FOUNDATION 2023-07-27 US disclosed
WO-2021262311-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 AGONIST AND LIPOSOMAL FORMULATIONS THEREOF THE PENN STATE RESEARCH FOUNDATION (US) 2021-12-30 WO disclosed
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
EP-2498611-B1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SÀRL (CH) 2018-01-10 EP disclosed
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 US disclosed
CN-102724880-B Sphingosine-1-phosphate receptor modulators and chiral synthesis methods 瑞塞普托斯有限责任公司 2016-09-14 CN disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003062248-A2 N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
US-6013664-A REACTING THIOPHENE-2-CARBOXYLIC ACID DERIVATIVE WITH AMINE, HYDROXY OR MERCAPTO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 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 (6 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-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 PLK1 1830/4885C1S 1952/4885HSD17B10 2972/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 PLK1 993/4885C1S 2443/4885HSD17B10 3159/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PLK1 1723/4885C1S 2256/4885HSD17B10 3082/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PLK1 1579/4885C1S 1958/4885HSD17B10 2961/4885
US-20230233532-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 AGONIST AND LIPOSOMAL FORMULATIONS THEREOF S1PR1, S1PR2, S1PR3 PLK1 430/4885C1S 4280/4885HSD17B10 4567/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PLK1 1723/4885C1S 2256/4885HSD17B10 3082/4885

“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.