SCHEMBL1229469

SCHEMBL1229469

CS(=O)(=O)OCc1cc(Br)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.40
NQO2 P16083 1/20 0.37
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP19A1 P11511 2/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ATM Q13315 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL1229758 0.77 WDR5 (0.41) MEN1KMT2A
SCHEMBL11942308 0.77 ACP1 (0.41) ACP1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL3860367 0.73 ACP1 (0.41) ACP1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL15538770 0.73 SLC22A12 (0.37) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL5935677 0.73 CYP1A2 (0.49) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL2130542 0.73 CYP1A2 (0.34) ACP1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL8818260 0.73 CYP2A6 (0.43) ACP1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL5273095 0.72 CYP1A2 (0.41) NQO2CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7957997 0.72 IDO1 (0.52) CYP1A2CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL9673833 0.72 BACE1 (0.37) ACP1CYP1A2CYP3A4CYP2D6MEN1

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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 ACP1 4216/4885NQO2 259/4885PTGS2 1768/4885

“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.