SCHEMBL862532

SCHEMBL862532

COc1ccc(C)cc1NC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
MAPT P10636 6/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 2/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
TP53 P04637 1/20 0.63
MAPK1 P28482 1/20 0.63
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 2/20 0.57

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
SCHEMBL11660382 0.89 HPGD (0.70) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6579496 0.87 SMN1; SMN2 (0.66) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL29451289 0.87 SMN1; SMN2 (0.66) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6464089 0.86 KMT2A (0.61) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL5534456 0.86 KMT2A (0.66) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28918511 0.86 SMN1; SMN2 (0.64) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL528361 0.84 HDAC1 (0.70) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6005341 0.84 GAA (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28858859 0.83 KMT2A (0.58) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL10192134 0.83 CYP1A2 (0.71) TSHRMEN1KMT2AMAPTALDH1A1

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-20170015660-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-19 US disclosed
US-8168650-B2 Therapeutic uses of bicyclic ligands of sigma 2 receptor WASHINGTON UNIVERSITY (US) 2012-05-01 US disclosed
US-8143222-B2 Modular platform for targeted therapeutic delivery WASHINGTON UNIVERSITY (US) 2012-03-27 US disclosed
US-20100048614-A1 THERAPEUTIC USES OF BICYCLIC LIGANDS OF SIGMA 2 RECEPTOR WASHINGTON UNIVERSITY (US) 2010-02-25 US disclosed
US-7612085-B2 Sigma 2 receptor ligands and therapeutic uses therefor WASHINGTON UNIVERSITY (US) 2009-11-03 US disclosed
US-20090176705-A1 MODULAR PLATFORM FOR TARGETED THERAPEUTIC DELIVERY WASHINGTON UNIVERSITY (US) 2009-07-09 US disclosed
US-20080161343-A1 Sigma 2 Receptor Ligands and Therapeutic Uses Therefor WASHINGTON UNIVERSITY 2008-07-03 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-20080161343-A1 Sigma 2 Receptor Ligands and Therapeutic Uses Therefor SIGMAR1, TMEM97, BAD TSHR 1299/4885MEN1 4512/4885KMT2A 2434/4885
US-20170015660-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF SIGMAR1, TMEM97, AIFM2 TSHR 204/4885MEN1 3626/4885KMT2A 3212/4885
US-20100048614-A1 THERAPEUTIC USES OF BICYCLIC LIGANDS OF SIGMA 2 RECEPTOR SIGMAR1, TMEM97, BAD TSHR 964/4885MEN1 4799/4885KMT2A 2541/4885
US-20090176705-A1 MODULAR PLATFORM FOR TARGETED THERAPEUTIC DELIVERY SIGMAR1, TMEM97, CCAR2 TSHR 640/4885MEN1 4666/4885KMT2A 3584/4885

“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.