Sugi Predict

Sugi Predict / Compounds / SCHEMBL10080951

SCHEMBL10080951

SCHEMBL10080951

CCN(CC)C(=O)c1cccc(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ HSP90AA1 P07900 6/20 0.56
▸ HSP90AB1 P08238 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ OPRD1 P41143 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ TP53BP1 Q12888 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
SCHEMBL27772940 0.89 HPGD (0.61) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL20032299 0.85 HPGD (0.61) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL7406512 0.84 HPGD (0.79) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL14590877 0.82 HSP90AA1 (0.54) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4734654 0.81 RXRA (0.47) HPGDTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL21508240 0.80 HSP90AA1 (0.42) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL16005309 0.79 HPGD (0.67) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4472102 0.79 HSP90AA1 (0.58) HPGDHSP90AA1HSP90AB1ALDH1A1LMNA
Diethyltoluamide SCHEMBL29114316 0.79 HPGD (0.87) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL19701866 0.78 SLC6A4 (0.45) HPGDTDP1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 — — US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 — — US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — WO disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 — — US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 — — 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 (6 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 HPGD 3509/4885TDP1 2137/4885HSP90AA1 4187/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HPGD 140/4885TDP1 1225/4885HSP90AA1 584/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 HPGD 3564/4885TDP1 3192/4885HSP90AA1 360/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG HPGD 1128/4885TDP1 629/4885HSP90AA1 1615/4885
US-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 HPGD 2954/4885TDP1 2161/4885HSP90AA1 4482/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B HPGD 2406/4885TDP1 2604/4885HSP90AA1 723/4885

“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.