SCHEMBL20397635

SCHEMBL20397635

COC(=O)C(Cc1ccc2c(c1)CCCO2)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
NLRP3 Q96P20 5/20 0.42
CTSS P25774 7/20 0.41
CTSK P43235 7/20 0.41
CTSB P07858 3/20 0.41
P2RX3 P56373 1/20 0.40
ACE P12821 1/20 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
SCHEMBL20415708 0.94 TAS1R3 (0.52) KLK5TAS1R3TAS1R1CTSSCTSK
SCHEMBL18262693 0.94 TAS1R3 (0.52) KLK5TAS1R3TAS1R1CTSSCTSK
SCHEMBL24503057 0.92 KLK5 (0.46) KLK5NLRP3CTSSCTSKCTSB
SCHEMBL1744721 0.86 KLK5 (0.50) KLK5CTSSCTSKCTSBACE
SCHEMBL1744724 0.86 KLK5 (0.50) KLK5CTSSCTSKCTSBACE
SCHEMBL20415861 0.84 REN (0.46) TAS1R3TAS1R1CTSSCTSKCTSB
SCHEMBL18262463 0.84 ACE (0.52) CTSSCTSKCTSBACE
SCHEMBL18262461 0.84 ACE (0.52) CTSSCTSKCTSBACE
SCHEMBL24502279 0.81 KLK5 (0.48) KLK5NLRP3CTSSCTSKCTSB
SCHEMBL22604574 0.80 KLK5 (0.50) KLK5NLRP3CTSSCTSKCTSB

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 5 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
EP-3303284-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-04-08 EP disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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 KLK5 3956/4885TAS1R3 1393/4885TAS1R1 602/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 KLK5 3708/4885TAS1R3 1498/4885TAS1R1 644/4885

“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.