SCHEMBL2622475

SCHEMBL2622475

Cc1ccc(CCC(N)(CO)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 3/20 0.42
FFAR1 O14842 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TNNC1 P63316 5/20 0.41
SGPL1 O95470 1/20 0.41
S1PR4 O95977 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC13A5 Q86YT5 2/20 0.38

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
SCHEMBL2622478 0.89 ARG1 (0.47) S1PR1S1PR3TDP1L3MBTL1TNNC1
SCHEMBL14499316 0.84 GRM2 (0.50) S1PR1S1PR3FFAR1TDP1ARG1
SCHEMBL13932736 0.81 S1PR1 (0.66) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL13953244 0.77 ARG1 (0.36) FFAR1ARG1ARG2NPC1RAB9A
SCHEMBL904106 0.77 S1PR1 (0.64) S1PR1S1PR3CYP1A2CYP2A6TAAR1
SCHEMBL14769843 0.76 S1PR1 (0.38) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL15496714 0.75 PPARA (0.48) FFAR1TDP1L3MBTL1CYP1A2CYP2A6
SCHEMBL15326074 0.75 SMN1; SMN2 (0.47) FFAR1TDP1L3MBTL1CYP1A2CYP2A6
SCHEMBL13614227 0.75 CYP1A2 (0.47) S1PR1S1PR3CYP1A2CYP2A6TAAR1
SCHEMBL2632242 0.75 S1PR1 (0.67) S1PR1S1PR3TNNC1SGPL1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20070135450-A1 Compounds and Methods of Treating Insulin Resistance and Cardiomyopathy FORBES MEDI-TECH (RESEARCH), INC. (US) 2007-06-14 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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 S1PR1 980/4885S1PR3 1425/4885FFAR1 2747/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 S1PR1 980/4885S1PR3 1425/4885FFAR1 2747/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 S1PR1 980/4885S1PR3 1425/4885FFAR1 2747/4885
US-20070135450-A1 Compounds and Methods of Treating Insulin Resistance and Cardiomyopathy CPT1A, CPT1B, PNLIP S1PR1 161/4885S1PR3 282/4885FFAR1 193/4885

“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.