SCHEMBL4473902

SCHEMBL4473902

CC(C)(CCc1cccs1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
CYP2C19 P33261 1/20 0.47
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTB4R Q15722 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27843285 0.86 RIPK1 (0.51) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL4341638 0.86 RIPK1 (0.48) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL4485884 0.82 RIPK1 (0.50) RIPK1CYP2C19POLBTDP1RAB9A
SCHEMBL9511828 0.80 LTB4R (0.46) RIPK1POLBNPC1SMN1; SMN2LTB4R
SCHEMBL9716459 0.80 RIPK1 (0.49) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL4476863 0.78 TAAR1 (0.50) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL418868 0.77 TAAR1 (0.54) RIPK1CYP2C19TAAR1NPC1RAB9A
SCHEMBL4347803 0.77 POLB (0.46) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL6235762 0.76 RIPK1 (0.46) RIPK1CYP2C19POLBTDP1TAAR1
SCHEMBL5166957 0.76 ALDH1A1 (0.43) RIPK1POLBTDP1NPC1RAB9A

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 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 (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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK RIPK1 577/4885CYP2C19 420/4885POLB 1415/4885

“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.