SCHEMBL2557767

SCHEMBL2557767

CC(=O)c1ccc(Sc2ccccc2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NSD2 O96028 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
SIRT1 Q96EB6 1/20 0.53
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HSP90AA1 P07900 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
SCHEMBL2024004 0.88 ALDH1A1 (0.59) HPGDALDH1A1L3MBTL1NSD2CA12
SCHEMBL6630704 0.85 SIRT1 (0.70) HPGDALDH1A1LMNAL3MBTL1NSD2
SCHEMBL231042 0.84 SIRT1 (0.71) HPGDALDH1A1LMNAL3MBTL1NSD2
SCHEMBL1775501 0.83 POLB (0.56) ALDH1A1LMNAL3MBTL1NSD2CA12
SCHEMBL8531499 0.83 SIRT1 (0.56) ALDH1A1L3MBTL1NSD2CA12CA1
Acetophenone SCHEMBL28395442 0.82 ALDH1A1 (0.59) HPGDALDH1A1LMNAL3MBTL1NSD2
SCHEMBL6935437 0.81 SIRT1 (0.58) HPGDALDH1A1LMNAL3MBTL1NSD2
SCHEMBL2417850 0.80 SIRT1 (0.67) HPGDALDH1A1LMNAL3MBTL1NSD2
SCHEMBL10870776 0.80 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL1CA12
SCHEMBL194744 0.80 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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 (2 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 HPGD 1394/4885ALDH1A1 716/4885LMNA 4215/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 HPGD 1394/4885ALDH1A1 716/4885LMNA 4215/4885

“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.