Sugi Predict

Sugi Predict / Compounds / SCHEMBL86770

SCHEMBL86770

SCHEMBL86770

NC(/C=C/c1ccc(OCCCc2cccc(Br)c2)c(C(F)(F)F)c1)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.42
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ AR P10275 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL3625623 1.00 S1PR1 (0.42) S1PR1CTSSCTSKALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL81324 0.99 S1PR1 (0.42) S1PR1CTSSCTSKALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL81323 0.99 S1PR1 (0.42) S1PR1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL81751 0.90 S1PR1 (0.37) S1PR1ALDH1A1SMN1; SMN2PTPN1MRGPRX4
SCHEMBL81752 0.90 S1PR1 (0.37) S1PR1ALDH1A1SMN1; SMN2PTPN1MRGPRX4
SCHEMBL86689 0.90 S1PR1 (0.40) S1PR1S1PR4
SCHEMBL86627 0.89 S1PR1 (0.45) S1PR1CTSSCTSKTAAR1MRGPRX4
SCHEMBL3624187 0.89 S1PR1 (0.44) S1PR1PTPN1S1PR4HPGD
SCHEMBL86314 0.89 S1PR1 (0.44) S1PR1PTPN1S1PR4HPGD
SCHEMBL80370 0.89 S1PR1 (0.43) S1PR1ALDH1A1MRGPRX4S1PR4HPGD

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 511/4885CTSS 4376/4885CTSK 4088/4885

“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.