Sugi Predict

Sugi Predict / Compounds / SCHEMBL2108368

SCHEMBL2108368

SCHEMBL2108368

CCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ACR P10323 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ XPO1 O14980 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL29775668 1.00 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL766707 0.86 ACR (0.55) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL210302 0.84 TRPM8 (0.55) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL2967105 0.83 TP53 (0.57) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL5046518 0.82 PTPN1 (0.51) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL768649 0.82 ACR (0.63) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL5620054 0.81 SMN1; SMN2 (0.56) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL28628530 0.81 L3MBTL1 (0.55) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL2967428 0.81 L3MBTL1 (0.55) MAPTMEN1KMT2AL3MBTL1ACR
SCHEMBL1227407 0.81 L3MBTL1 (0.73) MAPTMEN1KMT2AL3MBTL1ACR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 — — EP disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 — — US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 — — EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 — — EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 — — US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 — — CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 — — US disclosed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 — — WO disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 — — US disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 — — EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 — — US disclosed
US-7396944-B2 Thiophene derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-07-08 — — US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 — — US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 — — WO disclosed
US-20070232602-A1 Thiophene Derivatives, Their Manufacture and Use as Pharmaceutical Agents HOFFMAN-LA ROCHE INC. 2007-10-04 — — US disclosed
EP-1778683-A1 THIOPHENE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-02 — — EP disclosed
WO-2005121134-A1 THIOPHENE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 — — WO 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 (8 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-20070232602-A1 Thiophene Derivatives, Their Manufacture and Use as Pharmaceutical Agents TPMT, ABCB1, CYP3A5 MAPT 2091/4885MEN1 1584/4885KMT2A 4499/4885
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1815/4885MEN1 4731/4885KMT2A 559/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 MAPT 4752/4885MEN1 4349/4885KMT2A 3133/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 MAPT 4752/4885MEN1 4349/4885KMT2A 3133/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 MAPT 4746/4885MEN1 4254/4885KMT2A 3120/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1778/4885MEN1 4719/4885KMT2A 672/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 MAPT 2549/4885MEN1 4731/4885KMT2A 829/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 MAPT 4746/4885MEN1 4254/4885KMT2A 3120/4885

“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.