SCHEMBL3787231

SCHEMBL3787231

CC(=O)Oc1ccccc1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3790311 0.89 PTGS2 (0.47) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL8676653 0.88 PTGS2 (0.61) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3785811 0.85 PTGDR2 (0.42) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3784825 0.85 ALDH1A1 (0.41) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3794675 0.84 PTGS2 (0.46) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL362353 0.84 PTGS2 (0.57) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL17797000 0.83 ALDH1A1 (0.50) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL1231281 0.82 PTGS2 (0.55) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL16236644 0.81 KDM4E (0.53) PTGS2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3785086 0.80 ALDH1A1 (0.46) PTGS2KDM4ETSHRHSD17B10ALDH1A1

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
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PTGS2 3544/4885KDM4E 2606/4885TSHR 1688/4885

“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.