SCHEMBL926258

SCHEMBL926258

CC(=O)Nc1ccc2oc(-c3ccc(S(C)(=O)=O)cc3)c(OCc3ccccc3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ABCG2 Q9UNQ0 4/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PPARG P37231 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 1/20 0.42
ABCB1 P08183 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL925769 0.92 PPARG (0.42) KDM4EALDH1A1ABCG2PPARGGAA
SCHEMBL925271 0.90 KDM4E (0.47) CYP19A1KDM4EALDH1A1ABCG2CYP11B1
SCHEMBL926613 0.87 KDM4E (0.57) KDM4EALDH1A1ABCG2PPARGGAA
SCHEMBL926830 0.83 PPARG (0.46) CYP19A1KDM4EALDH1A1ABCG2PPARG
SCHEMBL925244 0.82 NPC1 (0.48) KDM4EALDH1A1ABCG2GAATP53
SCHEMBL3703832 0.81 CYP11B1 (0.47) CYP19A1KDM4EALDH1A1ABCG2CYP11B1
SCHEMBL1082928 0.80 MAPT (0.53) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL928184 0.80 MAPT (0.50) LMNAKDM4EALDH1A1TP53MAPT
SCHEMBL928086 0.79 KDM4E (0.54) KDM4EALDH1A1ABCG2PPARGGAA
SCHEMBL17786434 0.78 KDM4E (0.62) KDM4EALDH1A1ABCG2ABCB1MAPT

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-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US disclosed
EP-2268628-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN Rottapharm S.p.A. (IT) 2011-01-05 EP disclosed
WO-2009109230-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2009-09-11 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 CYP19A1 1251/4885LMNA 4430/4885KDM4E 3085/4885

“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.