Sugi Predict

Sugi Predict / Compounds / SCHEMBL1805795

SCHEMBL1805795

SCHEMBL1805795

Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.48
▸ CYP11B2 P19099 7/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ ABL1 P00519 2/20 0.45
▸ CYP17A1 P05093 2/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ CYP2E1 P05181 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ CFTR P13569 1/20 0.40

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
SCHEMBL27881016 0.96 SLC2A1 (0.47) CYP11B1CYP11B2SLC2A1ABL1CYP17A1
SCHEMBL25319004 0.83 PTGS2 (0.44) PDE3BPDE3ADRD2DRD3PTGS2
SCHEMBL31097874 0.83 PTGS2 (0.44) PDE3BPDE3ADRD2DRD3PTGS2
SCHEMBL31555352 0.83 PTGS2 (0.44) PDE3BPDE3ADRD2DRD3PTGS2
SCHEMBL1806097 0.82 ERN1 (0.47) CYP11B1CYP11B2ABL1CYP17A1CYP3A4
SCHEMBL27898065 0.81 ERN1 (0.44) CYP11B1CYP11B2ABL1CYP17A1CYP3A4
SCHEMBL19209471 0.80 DRD2 (0.41) DRD2DRD3AKR1C3AKR1C2ALDH1A1
SCHEMBL9172136 0.79 CA1 (0.51) CYP11B1CYP11B2CYP17A1CYP3A4CYP2D6
SCHEMBL12660790 0.78 DRD2 (0.41) DRD2DRD3AKR1C3AKR1C2PTGS2
SCHEMBL16446303 0.78 CYP11B2 (0.74) CYP11B1CYP11B2SLC2A1CYP17A1CYP3A4

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
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 — — EP claimed
EP-2496544-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS Fibrostatin, S.L. (SE) 2012-09-12 — — EP claimed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 — — WO claimed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 — — US claimed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 — — US disclosed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 — — US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 — — US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 — — US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 — — US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 — — US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 — — US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 — — US disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 — — EP disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 — — US disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 — — US disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 — — US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 — — US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 — — US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 — — US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 — — 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 (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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 CYP11B1 2299/4885CYP11B2 2503/4885SLC2A1 2375/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 CYP11B1 2299/4885CYP11B2 2503/4885SLC2A1 2375/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 CYP11B1 2299/4885CYP11B2 2503/4885SLC2A1 2375/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 CYP11B1 2299/4885CYP11B2 2503/4885SLC2A1 2375/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 CYP11B1 2299/4885CYP11B2 2503/4885SLC2A1 2375/4885

“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.