SCHEMBL6897039

SCHEMBL6897039

CC(=O)SCCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
CHRM1 P11229 3/20 0.44
AVPR1A P37288 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
UGCG Q16739 1/20 0.44
CTSL P07711 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
LPAR1 Q92633 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
SCHEMBL27538309 0.94 HSD17B10 (0.47) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL6895429 0.94 HSD17B10 (0.47) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL6891051 0.94 HSD17B10 (0.47) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL6895829 0.91 CHRM1 (0.49) HSD17B10CHRM1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27560031 0.91 HSD17B10 (0.47) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL6893485 0.90 CYP3A4 (0.44) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL6895606 0.90 CTSL (0.45) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL27538327 0.90 CYP3A4 (0.44) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL6895604 0.90 CTSL (0.45) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL6896871 0.88 HSD17B10 (0.49) HSD17B10CHRM1AVPR1AALDH1A1SMN1; SMN2

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 HSD17B10 1909/4885CHRM1 340/4885AVPR1A 2192/4885

“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.