SCHEMBL6895729

SCHEMBL6895729

CC(=O)Nc1ccc(C[C@H](NC(=O)N(CCSC(C)=O)CCc2ccccc2)C(=O)NCCN(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SRC P12931 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
F7 P08709 1/20 0.38
KIFC1 Q9BW19 1/20 0.38
MMP8 P22894 1/20 0.38
CTSL P07711 1/20 0.38
TACR2 P21452 2/20 0.37
BCL2A1 Q16548 2/20 0.37
BID P55957 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6895814 0.93 CTSS (0.42) KMT2ASRCCTSSCTSKKIFC1
SCHEMBL6899419 0.91 KIFC1 (0.45) SRCCTSSCTSKKIFC1MMP8
SCHEMBL6898419 0.91 OPRM1 (0.44) SRCKIFC1MMP8CTSL
SCHEMBL6890698 0.90 KIFC1 (0.42) MEN1KMT2ASRCCTSSCTSK
SCHEMBL27538457 0.90 AVPR1A (0.46) SRCKIFC1MMP8CTSLTACR2
SCHEMBL6899191 0.90 AVPR1A (0.46) SRCKIFC1MMP8CTSLTACR2
SCHEMBL6898000 0.90 MEN1 (0.43) MEN1KMT2ASRCCTSSCTSK
SCHEMBL6897068 0.88 KMT2A (0.47) KMT2ASRCCTSSCTSKKIFC1
SCHEMBL6890575 0.87 SRC (0.42) KMT2ASRCKIFC1MMP8TACR2
SCHEMBL6890418 0.87 ALDH1A1 (0.44) MEN1KMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH MEN1 4882/4885KMT2A 4759/4885SRC 2906/4885

“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.