SCHEMBL5458079

SCHEMBL5458079

O=C(O)Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
PRMT1 Q99873 1/20 0.65
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
MEP1B Q16820 1/20 0.61
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 2/20 0.57
TBXA2R P21731 1/20 0.57
MAPT P10636 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 3/20 0.55

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
SCHEMBL11105032 0.95 KEAP1 (0.71) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL6608558 0.84 TSHR (0.76) CA12CA9CA1CA2ALDH1A1
SCHEMBL407414 0.82 KEAP1 (1.00) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL117475 0.82 TSHR (0.67) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL5143984 0.81 KEAP1 (0.76) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL5455007 0.81 CYP19A1 (0.66) L3MBTL1ALDH1A1TSHRPOLB
Hydrochloric Acid SCHEMBL3516799 0.81 KEAP1 (0.96) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL20981392 0.80 KEAP1 (0.63) KEAP1PRMT1CA12CA9CYP1A2
SCHEMBL166809 0.80 ALDH1A1 (0.71) MEP1BALDH1A1KDM4ETBXA2RMAPT
SCHEMBL14302919 0.80 KEAP1 (0.73) KEAP1PRMT1CA12CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A KEAP1 1764/4885PRMT1 738/4885CA12 4771/4885

“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.