SCHEMBL12351990

SCHEMBL12351990

CC1=C(Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 11/20 0.63
▸ EDNRB P24530 8/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.62
▸ RXFP1 Q9HBX9 2/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CCNT1 O60563 1/20 0.56
▸ CDK9 P50750 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPT P10636 1/20 0.56

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
SCHEMBL2241068 0.89 EDNRA (0.61) EDNRAEDNRBNPSR1RXFP1MEN1
SCHEMBL7716850 0.79 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL2239357 0.78 ALDH1A1 (0.74) MEN1CYP2C9CYP2C19KMT2AKDM4E
SCHEMBL6152009 0.76 EDNRA (1.00) EDNRAEDNRBNPSR1RXFP1MEN1
SCHEMBL2555583 0.76 EDNRA (0.67) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7856718 0.74 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7850007 0.74 EDNRA (0.81) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7850038 0.74 EDNRA (0.74) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL17352253 0.74 CCNT1 (0.71) EDNRAEDNRBNPSR1RXFP1CCNT1
Sulfisoxazole SCHEMBL23467 0.73 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR

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
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 — — US disclosed
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 — — US disclosed
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 — — US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 — — US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 — — 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 (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-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS PSMB7, PSMD7, PSMB6 EDNRA 1443/4885EDNRB 1645/4885NPSR1 1301/4885

“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.

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