Sugi Predict

Sugi Predict / Compounds / SCHEMBL86314

SCHEMBL86314

SCHEMBL86314

NC(/C=C/c1ccc(OCCCc2ccc(Br)cc2)c(C(F)(F)F)c1)(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.44
▸ S1PR4 O95977 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ S1PR5 Q9H228 2/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ USP28 Q96RU2 1/20 0.32
▸ USP25 Q9UHP3 1/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL3624187 1.00 S1PR1 (0.44) S1PR1S1PR4HPGDFFAR4S1PR5
Hydrochloric Acid SCHEMBL82213 0.99 S1PR1 (0.44) S1PR1S1PR4HPGDFFAR4S1PR5
Hydrochloric Acid SCHEMBL82214 0.99 S1PR1 (0.44) S1PR1S1PR4HPGDFFAR4S1PR5
SCHEMBL79207 0.90 S1PR1 (0.39) S1PR1S1PR4HPGDS1PR5S1PR3
SCHEMBL79206 0.90 S1PR1 (0.39) S1PR1S1PR4HPGDS1PR5S1PR3
SCHEMBL80369 0.89 S1PR1 (0.43) S1PR1S1PR4HPGDS1PR5S1PR3
SCHEMBL80370 0.89 S1PR1 (0.43) S1PR1S1PR4HPGDS1PR5S1PR3
SCHEMBL86588 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3
SCHEMBL86770 0.89 S1PR1 (0.42) S1PR1S1PR4HPGDPTPN1
SCHEMBL3625623 0.89 S1PR1 (0.42) S1PR1S1PR4HPGDPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885S1PR4 578/4885HPGD 2722/4885

“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.