SCHEMBL3907730

SCHEMBL3907730

O=C[C@H](Cc1ccccc1)NC(=O)C1(NS(=O)(=O)c2ccc3ccccc3c2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.48
F2 P00734 7/20 0.44
MMP1 P03956 2/20 0.42
MMP13 P45452 2/20 0.42
ADAM17 P78536 2/20 0.41
CTSB P07858 2/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL3914502 0.99 CAPN1 (0.48) CAPN1F2MMP1MMP13ADAM17
SCHEMBL3912360 0.86 CAPN1 (0.55) CAPN1F2MMP1MMP13ADAM17
SCHEMBL3909187 0.82 CTSL (0.47) F2MMP1ADAM17
SCHEMBL6987411 0.77 F2 (0.56) F2
SCHEMBL1771259 0.76 MMP1 (0.62) MMP1MMP13ADAM17
SCHEMBL7064055 0.76 USP2 (0.62) F2MMP1MMP13ADAM17
SCHEMBL516960 0.76 KMT2A (0.52) CAPN1F2CTSBNPY5R
SCHEMBL7790058 0.75 POLB (0.58) CAPN1F2NPY5R
SCHEMBL7790060 0.75 POLB (0.58) CAPN1F2NPY5R
SCHEMBL7787807 0.74 ALDH1A1 (0.56) CAPN1F2

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-7572833-B2 Drug composition comprising dipeptidyl aldehyde derivative SENJU PHARMACEUTICAL CO., LTD. (JP) 2009-08-11 US disclosed
US-7052714-B1 Ophthalmic adhesive preparations for percutaneous adsorption SENJU PHARMACEUTICAL CO., LTD (JP) 2006-05-30 US disclosed
US-20040048929-A1 Drug composition comprising dipeptidyl aldehyde derivative SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-03-11 US disclosed
EP-1334718-A1 DRUG COMPOSITION COMPRISING DIPEPTYDYL ALDEHYDE DERIVATIVE Senju Pharmaceutical Co., Ltd. (JP) 2003-08-13 EP disclosed
EP-1221315-A1 OPHTHALMIC ADHESIVE PREPARATIONS FOR PERCUTANEOUS ABSORPTION Senju Pharmaceutical Co., Ltd. (JP) 2002-07-10 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-20040048929-A1 Drug composition comprising dipeptidyl aldehyde derivative DPP4, DPP3, DPP7 CAPN1 2707/4885F2 4322/4885MMP1 277/4885

“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.