SCHEMBL5366964

SCHEMBL5366964

CC(C)(C)CC(Nc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.50
PIN1 Q13526 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
PKM P14618 3/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
BCHE P06276 1/20 0.48
CYP3A4 P08684 1/20 0.48
AKR1C3 P42330 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
KLF5 Q13887 2/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45

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
SCHEMBL11499385 0.84 RAB9A (0.54) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL25244025 0.80 PIN1 (0.50) LMNARAB9ASMN1; SMN2PIN1ALDH1A1
SCHEMBL29414312 0.80 PIN1 (0.50) LMNARAB9ASMN1; SMN2PIN1ALDH1A1
SCHEMBL25242832 0.80 PIN1 (0.50) LMNARAB9ASMN1; SMN2PIN1ALDH1A1
SCHEMBL29414310 0.80 PIN1 (0.50) LMNARAB9ASMN1; SMN2PIN1ALDH1A1
SCHEMBL8779899 0.78 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8779898 0.78 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8779893 0.78 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL7416537 0.74 APP (0.50) HTTPIN1ALDH1A1HSD17B10PKM
SCHEMBL5372364 0.74 APP (0.50) HTTPIN1ALDH1A1HSD17B10PKM

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 14 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-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 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
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 LMNA 3346/4885NPC1 1050/4885RAB9A 641/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB LMNA 3488/4885NPC1 947/4885RAB9A 637/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB LMNA 3488/4885NPC1 947/4885RAB9A 637/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB LMNA 3218/4885NPC1 1057/4885RAB9A 654/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB LMNA 3488/4885NPC1 947/4885RAB9A 637/4885

“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.