SCHEMBL2879668

SCHEMBL2879668

CC(C)c1cccc(-c2ccc(C(=O)O)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.63
▸ RAB9A P51151 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RXRA P19793 1/20 0.55
▸ RXRB P28702 1/20 0.55
▸ RXRG P48443 1/20 0.55
▸ MKNK1 Q9BUB5 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GAA P10253 1/20 0.45

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
SCHEMBL13524643 0.87 HPGDS (0.48) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL13524648 0.87 EPHX2 (0.58) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL9613342 0.84 RAB9A (0.64) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL1761545 0.80 RAB9A (0.92) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL5842337 0.80 HPGDS (0.69) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL6260315 0.79 RAB9A (0.83) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL20746208 0.78 ESRRG (0.69) RAB9ANPC1
SCHEMBL3639170 0.78 HPGDS (1.00) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL20764094 0.77 NPC1 (0.56) RAB9AMEN1KMT2AHDAC6HDAC1
SCHEMBL20764071 0.77 ESRRG (0.71) RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 — — US disclosed
US-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 — — US disclosed
US-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 — — US disclosed
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 — — US disclosed
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 — — US disclosed
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 — — WO disclosed
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 — — CN disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 — — EP disclosed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 — — CN disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 — — WO disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — 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 (3 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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 HPGDS 1408/4885RAB9A 1566/4885MEN1 4465/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG HPGDS 731/4885RAB9A 3045/4885MEN1 4534/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 HPGDS 3127/4885RAB9A 1149/4885MEN1 1713/4885

“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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