SCHEMBL2448975

SCHEMBL2448975

CC(C)CCCS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.52
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 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
SCHEMBL2448610 0.88 PSIP1 (0.56) PSIP1KEAP1NFE2L2ALDH1A1CYP2C9
SCHEMBL16485594 0.86 PSIP1 (0.46) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL13917416 0.81 PLCG1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL576918 0.81 KEAP1 (0.63) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL10629823 0.81 PSIP1 (0.61) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL28732982 0.81 HDAC1 (0.50) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL10626503 0.79 HDAC1 (0.65) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL27496055 0.79 MAPK1 (0.44) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
Isopropylamine SCHEMBL10862241 0.78 PSIP1 (0.53) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL777886 0.78 PSIP1 (0.64) PSIP1KEAP1NFE2L2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
EP-1498417-A1 Heterocyclic amide derivatives Pfizer Products Inc. (US) 2005-01-19 EP disclosed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US disclosed
US-6689886-B2 TREATMENT OF INFLAMMATION AND OTHER IMMUNE DISORDERS PFIZER INC. 2004-02-10 US disclosed
US-20030204086-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2003-10-30 US disclosed
US-6548671-B2 Treating autoimmune diseases, inflammatory conditions, allergies, infections, viral diseases, bronchitis, transplant tissue rejection, atherosclerosis, restenosis, HIV infectivity, and granulomatous PFIZER INC 2003-04-15 US disclosed
EP-1252154-A1 HETEROCYCLIC AMIDE DERIVATIVES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 US disclosed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 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 (4 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-20030204086-A1 Novel heterocyclic amide derivatives HAX1, ARG1, CXCR2 PSIP1 4173/4885KEAP1 807/4885NFE2L2 689/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 PSIP1 4736/4885KEAP1 1500/4885NFE2L2 3977/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 PSIP1 3358/4885KEAP1 1004/4885NFE2L2 893/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA PSIP1 1161/4885KEAP1 1914/4885NFE2L2 1966/4885

“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.