SCHEMBL11989259

SCHEMBL11989259

CC(C)(C)CC1CCC(CN/C(=N/C#N)N2CCOCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
RIPK1 Q13546 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
SCHEMBL12652971 0.88 POLB (0.40) CTSSPOLBHPGDPKMMEN1
SCHEMBL12619275 0.83 CTSS (0.38) CTSSHTTCTSDCTSLCTSB
SCHEMBL11989223 0.81 TSHR (0.40) PKMKMT2A
SCHEMBL13617149 0.78 HTT (0.34) CTSSHTTCTSDCTSLCTSB
SCHEMBL11989257 0.75 CYP2C19 (0.31)
SCHEMBL2760089 0.75 HTT (0.50) CTSSKMT2AHTTCTSDCTSL
SCHEMBL11989230 0.72 ALDH1A1 (0.38) POLBHPGDMEN1KMT2A
SCHEMBL13701373 0.72 CTSS (0.41) CTSSHPGDPKMMEN1KMT2A
SCHEMBL14996224 0.69 CTSS (0.40) CTSSPKMHTTCTSK
SCHEMBL12619297 0.69 MAPK14 (0.33)

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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 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 (2 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 CTSS 130/4885POLB 1793/4885HPGD 3653/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 CTSS 353/4885POLB 4850/4885HPGD 2388/4885

“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.