SCHEMBL1802155

SCHEMBL1802155

COc1cccc(C(CC(=O)O)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
AKR1C3 P42330 4/20 0.52
AKR1C2 P52895 4/20 0.52
PTGS1 P23219 2/20 0.52
AKR1C1 Q04828 1/20 0.52
LMNA P02545 1/20 0.51
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
FFAR1 O14842 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTSA P10619 1/20 0.48
CCKAR P32238 1/20 0.47

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
SCHEMBL6645336 0.89 AKR1C3 (0.49) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL6644240 0.89 FFAR1 (0.49) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL31483406 0.86 PTGS1 (0.51) L3MBTL1PTGS1FFAR1POLBTDP1
SCHEMBL2020322 0.86 AKR1C3 (0.70) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL6366464 0.86 GLS (0.54) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL6366470 0.86 GLS (0.54) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL6366469 0.86 GLS (0.54) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL9393589 0.85 L3MBTL1 (0.60) L3MBTL1LMNAMTNR1AMTNR1BFFAR1
SCHEMBL28269689 0.85 MTNR1A (0.51) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL28269690 0.85 MTNR1A (0.51) L3MBTL1AKR1C3AKR1C2PTGS1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 US disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 EP disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US disclosed
EP-2496544-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS Fibrostatin, S.L. (SE) 2012-09-12 EP disclosed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 WO disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
US-7820692-B2 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2010-10-26 US disclosed
US-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2009-11-05 US disclosed
EP-2045243-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF China Pharmaceutical University (CN) 2009-04-08 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 L3MBTL1 472/4885AKR1C3 3765/4885AKR1C2 4103/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 L3MBTL1 472/4885AKR1C3 3765/4885AKR1C2 4103/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 L3MBTL1 472/4885AKR1C3 3765/4885AKR1C2 4103/4885
US-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof OPRK1, OPRD1, OPRL1 L3MBTL1 3356/4885AKR1C3 809/4885AKR1C2 984/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 L3MBTL1 472/4885AKR1C3 3765/4885AKR1C2 4103/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 L3MBTL1 472/4885AKR1C3 3765/4885AKR1C2 4103/4885

“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.