SCHEMBL16057557

SCHEMBL16057557

CCCCc1c(-c2cccnc2)ccn(C(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ PPARA Q07869 1/20 0.39
▸ DHPS P49366 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL14977502 0.84 GCGR (0.41) KDM4EMEN1KMT2AASAH1ALDH1A1
SCHEMBL16057208 0.78 SLC37A4 (0.38) KDM4EMEN1KMT2AALDH1A1
SCHEMBL16057538 0.78 MAPT (0.40) POLBKDM4EASAH1ALDH1A1
SCHEMBL16057331 0.77 DCTPP1 (0.43) POLBKDM4EMEN1KMT2AAPLNR
SCHEMBL16057641 0.77 MKNK1 (0.48) CYP1A2CYP11B1CYP11B2GPR35
SCHEMBL16056843 0.71 CYP2C9 (0.44) CYP3A4CYP2C9CYP2C19POLBCYP1A2
SCHEMBL10027287 0.69 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19POLBCYP1A2
SCHEMBL6175833 0.67 CYP11B1 (0.39) CYP3A4CYP2C9CYP2C19POLBCYP1A2
SCHEMBL30445600 0.66 CYP2A6 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL28510085 0.65 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 — — US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 — — US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 CYP3A4 1429/4885CYP2C9 1191/4885CYP2C19 1292/4885

“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.

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