SCHEMBL3949665

SCHEMBL3949665

CS(=O)(=O)c1ccc(/C(Br)=C\C=C\C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.45
PTGS2 P35354 4/20 0.42
MAOB P27338 1/20 0.42
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40

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
SCHEMBL3949661 1.00 AKR1C3 (0.45) AKR1C3PTGS2MAOBAKR1C2AKR1C1
SCHEMBL3949667 1.00 AKR1C3 (0.45) AKR1C3PTGS2MAOBAKR1C2AKR1C1
SCHEMBL3943635 0.80 ALDH1A1 (0.55)
SCHEMBL3943639 0.80 ALDH1A1 (0.55)
SCHEMBL3943637 0.80 ALDH1A1 (0.55)
SCHEMBL28605956 0.78 ENPP2 (0.45) AKR1C3PTGS2MAOB
SCHEMBL3940758 0.78 PTGS2 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL3940765 0.78 PTGS2 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL4093138 0.77 ALOX15 (0.45) MAOB
SCHEMBL4093145 0.77 ALOX15 (0.45) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 AKR1C3 486/4885PTGS2 3329/4885MAOB 747/4885

“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.