SCHEMBL16751979

SCHEMBL16751979

O=C(Nc1cnc(Br)cn1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL13702081 0.79 ABL1 (0.49) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14137207 0.78 JAK2 (0.54) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16751973 0.76 FFAR2 (0.47) IDO1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29027756 0.75 AAK1 (0.41) IDO1ALDH1A1NPSR1FPR2EPHX1
SCHEMBL29027753 0.75 AAK1 (0.41) IDO1ALDH1A1NPSR1FPR2EPHX1
SCHEMBL17673351 0.74 ABL1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AFPR2
SCHEMBL17673338 0.73 ABL1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AABL1
SCHEMBL16751938 0.73 FFAR2 (0.45) ALDH1A1NPSR1SMN1; SMN2FPR2FPR3
SCHEMBL24103525 0.72 RAB9A (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1432592 0.71 PTK2 (0.50) IDO1KDM4ERAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 — — US claimed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 — — US claimed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 — — EP claimed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 — — US claimed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 — — EP claimed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 — — US claimed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 — — EP claimed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 — — US claimed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 — — WO claimed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 — — EP claimed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 — — US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 — — US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 — — EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 — — EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 — — US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 — — US disclosed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 — — EP disclosed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 — — US disclosed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 — — WO disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 — — EP 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 (5 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-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 IDO1 1833/4885ALDH1A1 2988/4885NPSR1 20/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 IDO1 1833/4885ALDH1A1 2988/4885NPSR1 20/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 IDO1 1833/4885ALDH1A1 2988/4885NPSR1 20/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 IDO1 1833/4885ALDH1A1 2988/4885NPSR1 20/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 IDO1 1833/4885ALDH1A1 2988/4885NPSR1 20/4885

“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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