Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803744

SCHEMBL2803744

SCHEMBL2803744

Cc1c(Cl)cccc1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD11B1 P28845 6/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.35
▸ TBXA2R P21731 3/20 0.35
▸ PAK1 Q13153 2/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SGK1 O00141 1/20 0.34
▸ GSPT1 P15170 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33

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
SCHEMBL2802818 0.90 SGK1 (0.40) ALDH1A1L3MBTL1PAK1SGK1
SCHEMBL2803149 0.90 ALDH1A1 (0.47) ALDH1A1L3MBTL1TBXA2RPAK1CA1
SCHEMBL2806810 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1HTR6TBXA2RPAK1
SCHEMBL2805067 0.89 SGK1 (0.41) ALDH1A1L3MBTL1CCR4SLC40A1TBXA2R
SCHEMBL2803977 0.87 TBXA2R (0.38) ALDH1A1L3MBTL1TBXA2RPAK1CA1
SCHEMBL2807827 0.86 PAK1 (0.36) ALDH1A1HSD11B1TBXA2RPAK1CA1
SCHEMBL2809138 0.84 MEN1 (0.42) ALDH1A1HTR6TBXA2RSGK1
SCHEMBL2805609 0.83 SGK1 (0.44) SGK1
SCHEMBL2802123 0.83 HDAC8 (0.50) SLC40A1TBXA2RPAK1SGK1
SCHEMBL2804182 0.82 SGK1 (0.43) HTR6SGK1

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-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — 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 (1 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 ALDH1A1 460/4885L3MBTL1 4308/4885HSD11B1 1915/4885

“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.