SCHEMBL13446458

SCHEMBL13446458

CC(C)(C)C1(C(=O)O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
CYP2C19 P33261 1/20 0.34
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL22958 0.97 CYP2C19 (0.38) FFAR3CYP2C19AKR1C1ALDH1A1TSHR
SCHEMBL1091337 0.95 FFAR3 (0.38) FFAR3CYP2C19ALDH1A1TSHR
SCHEMBL1091552 0.89 FFAR3 (0.41) FFAR3ALDH1A1TSHR
SCHEMBL2761157 0.81
SCHEMBL13446470 0.80 FFAR3 (0.40) FFAR3ALDH1A1
SCHEMBL11379072 0.80 CYP2C19 (0.37) FFAR3CYP2C19AKR1C1ALDH1A1TSHR
SCHEMBL11373556 0.80 CYP2C19 (0.37) FFAR3CYP2C19AKR1C1ALDH1A1TSHR
SCHEMBL13446442 0.80 CYP1A2 (0.40) CYP2C19ALDH1A1
SCHEMBL15925089 0.79
SCHEMBL13223471 0.79 GAA (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-04-14 US disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 US disclosed
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-03-27 US disclosed
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 US 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 (6 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 FFAR3 1950/4885CYP2C19 1094/4885AKR1C1 762/4885
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 FFAR3 54/4885CYP2C19 2273/4885AKR1C1 912/4885
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS MGLL, LIPA, PNLIP FFAR3 1484/4885CYP2C19 4567/4885AKR1C1 3100/4885
US-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 FFAR3 2931/4885CYP2C19 958/4885AKR1C1 145/4885
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 FFAR3 54/4885CYP2C19 2273/4885AKR1C1 912/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 FFAR3 2412/4885CYP2C19 2117/4885AKR1C1 503/4885

“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.