Sugi Predict

Sugi Predict / Compounds / SCHEMBL1279713

SCHEMBL1279713

SCHEMBL1279713

CC(C)S(=O)(=O)CC[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.54
▸ SLC6A2 P23975 7/20 0.54
▸ SLC6A3 Q01959 3/20 0.36
▸ ELOVL6 Q9H5J4 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ THPO P40225 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
SCHEMBL1279712 1.00 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3ELOVL6NPC1
SCHEMBL1279715 1.00 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3ELOVL6NPC1
SCHEMBL1279416 0.89 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1279419 0.89 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1279512 0.89 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL1279339 0.89 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL1279514 0.89 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL1279336 0.89 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL1279337 0.89 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL1279714 0.86 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3ELOVL6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000191-B2 Serotonin reuptake inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-07 — — US disclosed
EP-2627630-B1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2014-12-31 — — EP disclosed
US-20140243536-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2014-08-28 — — US disclosed
US-8729119-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-05-20 — — US disclosed
US-20130253013-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-09-26 — — US disclosed
US-8471040-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-06-25 — — US disclosed
US-20120088799-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-04-12 — — 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 (3 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-20130253013-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A4 1/4885SLC6A2 2/4885SLC6A3 6/4885
US-20120088799-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A4 1/4885SLC6A2 2/4885SLC6A3 6/4885
US-20140243536-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A4 1/4885SLC6A2 2/4885SLC6A3 6/4885

“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.

Send feedback