Sugi Predict

Sugi Predict / Compounds / SCHEMBL11433

SCHEMBL11433

SCHEMBL11433

CC(Oc1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAOB P27338 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ APP P05067 1/20 0.35
▸ OGA O60502 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KIF11 P52732 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
SCHEMBL11238 1.00 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10941 1.00 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL12818771 0.96 TDP1 (0.40) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10751 0.84 ALDH1A1 (0.53) MAPK1ALDH1A1CYP3A4MAPTNPC1
SCHEMBL30679206 0.81 ALDH1A1 (0.45) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL17707975 0.81 ACHE (0.41) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL9856281 0.79 ESR2 (0.45) APPKDM4E
SCHEMBL2833080 0.79 LDHA (0.42) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL23674125 0.79 MAOB (0.44) MAOB
SCHEMBL506831 0.79 MAOB (0.44) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 — — EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 — — EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 — — WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 — — US claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 — — US claimed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 — — WO disclosed
CN-103068826-B Nitrogen heterocyclic 霍夫曼-拉罗奇有限公司 2016-08-31 — — CN disclosed
CN-102639533-B Azacyclo-spiro derivative 霍夫曼-拉罗奇有限公司 2016-08-03 — — CN disclosed
CN-103429587-B As the azaspiro decanone compound of HSL inhibitor HOFFMAN-LA ROCHE LTD. (CH) 2015-09-30 — — CN disclosed
CN-103429569-B New azaspirodecanone compounds HOFFMANN LA ROCHE 2015-07-08 — — CN disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — WO disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 — — WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 — — US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 — — WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 — — 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 (4 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B TDP1 1430/4885MAPK1 4265/4885ALDH1A1 287/4885
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL TDP1 3029/4885MAPK1 2575/4885ALDH1A1 721/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL TDP1 1520/4885MAPK1 2258/4885ALDH1A1 691/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE TDP1 3555/4885MAPK1 2336/4885ALDH1A1 1748/4885

“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.