SCHEMBL1279650

SCHEMBL1279650

O=S(=O)(CCO)C[C@@H](Oc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.51
▸ SLC6A2 P23975 3/20 0.51
▸ SLC6A3 Q01959 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MBTPS1 Q14703 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL1279653 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3MMP2MMP3
SCHEMBL1279417 0.89 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2CMBTPS1
SCHEMBL1279442 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2CMBTPS1
SCHEMBL1279438 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2CMBTPS1
SCHEMBL1279221 0.85 SLC6A4 (0.45) SLC6A4SLC6A2MMP2MMP3MMP9
SCHEMBL1279219 0.85 SLC6A4 (0.45) SLC6A4SLC6A2MMP2MMP3MMP9
SCHEMBL14813689 0.84 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR2CPPARG
SCHEMBL1278998 0.84 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR2CPPARG
SCHEMBL9108520 0.84 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1279873 0.84 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR2CPPARG

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.

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