SCHEMBL5364959

SCHEMBL5364959

CC(C)(C[CH]C(=O)NC1(C#N)CCN(c2cccc(-c3ccccc3)c2)CC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 13/20 0.44
HSD17B10 Q99714 12/20 0.44
CYP3A4 P08684 6/20 0.44
CYP1A2 P05177 11/20 0.44
MAPK1 P28482 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 9/20 0.40
TSHR P16473 3/20 0.40
CTSK P43235 5/20 0.40
HPGD P15428 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 4/20 0.39
CTSS P25774 4/20 0.39
CTSB P07858 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5356443 0.92 CTSK (0.42) USP2HSD17B10CYP3A4CYP1A2MAPK1
SCHEMBL5368736 0.92 CTSK (0.42) USP2CYP3A4CYP1A2MAPK1SMN1; SMN2
SCHEMBL5361066 0.89 FFAR4 (0.40) CYP2C19ALDH1A1CTSKMEN1KMT2A
SCHEMBL5375302 0.87 FFAR4 (0.42) SMN1; SMN2ALDH1A1CTSKMEN1KMT2A
SCHEMBL5366057 0.84 CNR1 (0.40) CTSKCTSLCTSSCTSB
SCHEMBL5372333 0.83 JAK2 (0.37) SMN1; SMN2ALDH1A1CTSKCTSLCTSS
SCHEMBL5364843 0.81 ALDH1A1 (0.35) SMN1; SMN2CYP2C19CYP2C9ALDH1A1CTSL
SCHEMBL5363933 0.81 USP2 (0.41) USP2HSD17B10CYP3A4CYP1A2MAPK1
SCHEMBL5362284 0.81 CTSK (0.41) ALDH1A1CTSKCTSLCTSSCTSB
SCHEMBL5368643 0.80 CTSB (0.47) USP2HSD17B10CYP3A4CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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 (5 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-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 644/4885HSD17B10 2161/4885CYP3A4 3536/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 735/4885HSD17B10 2151/4885CYP3A4 3508/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885

“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.