SCHEMBL6897068

SCHEMBL6897068

COc1ccc(C[C@H](NC(=O)N(CCSC(C)=O)CCc2ccccc2)C(=O)NCCN(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ATM Q13315 1/20 0.45
SRC P12931 1/20 0.43
MMP3 P08254 4/20 0.42
MMP1 P03956 4/20 0.42
TSHR P16473 1/20 0.42
MMP9 P14780 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 1/20 0.40
KIFC1 Q9BW19 2/20 0.40
KLKB1 P03952 1/20 0.40
TACR2 P21452 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL6895814 0.93 CTSS (0.42) KMT2ASRCCTSSCTSKKIFC1
SCHEMBL6890575 0.92 SRC (0.42) KMT2AOPRM1OPRD1ATMSRC
SCHEMBL6899419 0.91 KIFC1 (0.45) SRCMMP9CTSSCTSKKIFC1
SCHEMBL6898419 0.91 OPRM1 (0.44) OPRM1OPRD1SRCMMP9CTSL
SCHEMBL6890698 0.90 KIFC1 (0.42) KMT2ASRCCTSLCTSSCTSK
SCHEMBL6899191 0.90 AVPR1A (0.46) SRCCTSLKIFC1TACR2
SCHEMBL27538457 0.90 AVPR1A (0.46) SRCCTSLKIFC1TACR2
SCHEMBL6897535 0.89 KMT2A (0.51) KMT2AOPRM1OPRD1ATMSRC
SCHEMBL6895729 0.88 MEN1 (0.41) KMT2ASRCCTSLCTSSCTSK
SCHEMBL6897220 0.88 MME (0.44) MMP9CTSLCTSSCTSKMMP2

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 KMT2A 4759/4885OPRM1 41/4885OPRD1 43/4885

“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.