SCHEMBL2888995

SCHEMBL2888995

COc1cc2c(cc1NS(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2NCCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
ABCB1 P08183 4/20 0.36
NR3C1 P04150 1/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PTGES O14684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2888993 1.00 CYP19A1 (0.39) CYP19A1ABCB1NR3C1PTGS2ALDH1A1
SCHEMBL2889524 0.82 IDO1 (0.40) CYP19A1ABCB1NR3C1ALDH1A1KMT2A
SCHEMBL2889523 0.82 IDO1 (0.40) CYP19A1ABCB1NR3C1ALDH1A1KMT2A
SCHEMBL2889416 0.80 KCNA5 (0.47) CYP19A1ABCB1NR3C1ALDH1A1KMT2A
SCHEMBL2889419 0.80 KCNA5 (0.47) CYP19A1ABCB1NR3C1ALDH1A1KMT2A
SCHEMBL5664623 0.78 ALDH1A1 (0.42) ABCB1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5664620 0.78 ALDH1A1 (0.42) ABCB1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2883874 0.76 ABCB1 (0.36) ABCB1KCNH2
SCHEMBL2875696 0.76 ABCB1 (0.36) ABCB1KCNH2
SCHEMBL13199544 0.76 ABCB1 (0.41) ABCB1ALDH1A1KMT2AMEN1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP claimed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US claimed
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 CYP19A1 1048/4885ABCB1 978/4885NR3C1 329/4885

“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.