SCHEMBL1402234

SCHEMBL1402234

Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 16/20 0.70
▸ S1PR3 Q99500 7/20 0.65
▸ S1PR5 Q9H228 2/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ S1PR4 O95977 1/20 0.50
▸ TSHR P16473 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL13524983 0.88 S1PR1 (0.78) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL14327860 0.86 S1PR1 (0.59) S1PR1S1PR3S1PR5ALOX15TSHR
SCHEMBL1413283 0.85 S1PR1 (0.88) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL13416529 0.83 S1PR1 (1.00) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL5989549 0.81 S1PR1 (0.77) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL18542960 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR5ALOX15NPC1
SCHEMBL13417276 0.79 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL13416846 0.78 S1PR1 (0.76) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL29389224 0.77 S1PR1 (1.00) S1PR1S1PR3S1PR5ALOX15S1PR4
SCHEMBL436150 0.77 S1PR1 (1.00) S1PR1S1PR3S1PR5ALOX15S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 — — EP 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-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-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-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 — — 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
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
EP-2291080-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2011-03-09 — — EP disclosed
WO-2009151529-A9 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-04-08 — — WO disclosed
WO-2009151529-A9 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-04-08 — — WO disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — US disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — US disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — US disclosed
WO-2009151529-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 — — WO disclosed
WO-2009151529-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 — — 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 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885

“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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