SCHEMBL19010447

SCHEMBL19010447

CNC(=O)CC(O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
MMP1 P03956 11/20 0.33
MMP3 P08254 10/20 0.33
MMP2 P08253 10/20 0.33
MMP9 P14780 5/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
ADAM17 P78536 2/20 0.33
ATM Q13315 1/20 0.33
MMP7 P09237 6/20 0.31
CYP2C19 P33261 1/20 0.30
MMP20 O60882 1/20 0.30
ADAMTS4 O75173 1/20 0.30
TNF P01375 1/20 0.30
MMP10 P09238 1/20 0.30
MMP12 P39900 1/20 0.30
MMP15 P51511 1/20 0.30

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
SCHEMBL8002708 0.79 CYP2C19 (0.52) MCL1LMNAATMCYP2C19
SCHEMBL19026676 0.77 TSHR (0.42) TSHRMCL1MMP1MMP3MMP2
SCHEMBL19000009 0.77 KMT2A (0.39) TSHRMMP1MMP3MMP2MMP9
SCHEMBL14667924 0.76 MMP1 (0.37) MCL1LMNAMMP1MMP3MMP2
SCHEMBL24433806 0.74 MCL1 (0.33) MCL1LMNAMMP1MMP3MMP2
SCHEMBL20806864 0.74 ATM (0.36) MCL1LMNAMMP1MMP3MMP2
SCHEMBL13588558 0.74 MMP1 (0.36) MCL1LMNAMMP1MMP3MMP2
SCHEMBL27403620 0.74 CYP2C19 (0.45) TSHRLMNAMMP1MMP8CYP2C19
SCHEMBL17617093 0.74
SCHEMBL6805671 0.72 PGD (0.50) TSHRLMNACYP2C19CYP2D6

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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (3 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TSHR 791/4885MCL1 471/4885LMNA 1762/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TSHR 744/4885MCL1 698/4885LMNA 1770/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TSHR 744/4885MCL1 698/4885LMNA 1770/4885

“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.