SCHEMBL14327886

SCHEMBL14327886

Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.73
▸ NPC1 O15118 8/20 0.69
▸ RAB9A P51151 7/20 0.69
▸ S1PR3 Q99500 3/20 0.66
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL13416325 0.85 S1PR1 (0.77) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL13416322 0.84 S1PR1 (1.00) S1PR1NPC1RAB9AS1PR3
SCHEMBL14327885 0.83 S1PR1 (0.69) S1PR1NPC1RAB9AS1PR3MEN1
SCHEMBL14327874 0.80 S1PR1 (0.74) S1PR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL13416800 0.80 S1PR1 (1.00) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL14327896 0.78 NPC1 (0.58) S1PR1NPC1RAB9AS1PR3MEN1
SCHEMBL13798704 0.78 CCNC (0.46) S1PR1NPC1RAB9AS1PR3MAPT
SCHEMBL13417297 0.77 S1PR1 (0.82) S1PR1NPC1S1PR3MAPTHSD17B10
SCHEMBL13525849 0.77 S1PR1 (0.70) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL13417276 0.77 S1PR1 (1.00) S1PR1S1PR3

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 14 patents. 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
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-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
US-9382217-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-05 — — US disclosed
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 — — US disclosed
US-8530503-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 — — US disclosed
US-8481573-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-09 — — US disclosed
US-8466183-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-06-18 — — US disclosed
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — 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
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — 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 (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-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1683/4885RAB9A 2814/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885

“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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