SCHEMBL3344116

SCHEMBL3344116

CCOC(=O)c1cc(C(=O)O)n(CC)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
FAAH O00519 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8064364 0.90 SMN1; SMN2 (0.47) KMT2AGAACYP1A2FAAHSMN1; SMN2
SCHEMBL3995471 0.88 LMNA (0.44) KMT2AGAACYP1A2CYP2C9CYP2C19
SCHEMBL20419549 0.86 AURKA (0.40) KMT2AGAASMN1; SMN2POLBKDM4E
SCHEMBL24275916 0.84 FAAH (0.43) KMT2AGAACYP1A2FAAHCYP2C19
SCHEMBL3646146 0.83 MARS1 (0.46) GAAPOLBMAPTKDM4EALDH1A1
SCHEMBL7703521 0.83 LMNA (0.52) KMT2AGAACYP1A2FAAHCYP2C9
SCHEMBL1234127 0.82 AURKA (0.52) KMT2AGAACYP1A2FAAHPOLB
SCHEMBL8076665 0.81 FAAH (0.40) KMT2AGAACYP1A2FAAHSMN1; SMN2
SCHEMBL3999420 0.81 KMT2A (0.38) KMT2AGAACYP1A2CYP2C9CYP2C19
SCHEMBL5560879 0.81 CYP1A2 (0.46) KMT2AGAACYP1A2FAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022053010-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-17 WO disclosed
EP-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
WO-2009027601-A2 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-03-05 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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 KMT2A 4426/4885GAA 2371/4885CYP1A2 210/4885

“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.