SCHEMBL4491328

SCHEMBL4491328

CC(C)(C)NS(=O)(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
IL1RN P18510 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NR3C2 P08235 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL7357115 0.89 UQCRB (0.46) KEAP1ALDH1A1NR3C2MAPTSMN1; SMN2
SCHEMBL13141234 0.80 ALDH1A1 (0.51) CA1CA2ALDH1A1NR3C2MAPT
SCHEMBL20724732 0.80 KEAP1 (0.46) KEAP1CA1CA2IL1RNERAP1
SCHEMBL59151 0.79 KEAP1 (0.64) KEAP1CA1CA2IL1RNERAP1
SCHEMBL7338377 0.77 LMNA (0.45) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL23141160 0.77 KEAP1 (0.61) KEAP1CA1CA2IL1RNERAP1
SCHEMBL11676103 0.76 MAPT (0.55) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8530361 0.76 CA1 (0.56) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL841252 0.76 KEAP1 (0.60) KEAP1CA1CA2IL1RNERAP1
SCHEMBL5700054 0.74 KEAP1 (0.58) KEAP1CA1CA2IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229574-A Reinforced modified rubber and preparation method thereof 江苏联盟化学有限公司 2023-12-15 CN disclosed
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (3 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 KEAP1 4488/4885CA1 4578/4885CA2 2359/4885
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 KEAP1 819/4885CA1 1754/4885CA2 1563/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 KEAP1 819/4885CA1 1754/4885CA2 1563/4885

“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.