SCHEMBL20415840

SCHEMBL20415840

COc1ccc(CC(CO)NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
PTGS2 P35354 1/20 0.55
FPR2 P25090 2/20 0.54
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
FPR1 P21462 1/20 0.52
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL20415806 0.91 PKM (0.68) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL18262738 0.85 FPR2 (0.74) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL18262740 0.85 FPR2 (0.74) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397641 0.85 PKM (0.60) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397782 0.85 FPR2 (0.74) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397813 0.85 PKM (0.60) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397870 0.84 FPR2 (0.64) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397695 0.82 PKM (0.56) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397937 0.82 PKM (0.56) PKMFPR2ADRB1ADRB3FPR1
SCHEMBL20397582 0.78 FPR2 (0.55) PKMFPR2ADRB1ADRB3FPR1

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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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 (2 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 PKM 3796/4885PTGS2 1783/4885FPR2 3/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 PKM 3601/4885PTGS2 1615/4885FPR2 2/4885

“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.