SCHEMBL2536360

SCHEMBL2536360

CCOc1ccc(C(C)=O)cc1CSc1nnnn1-c1cc(C)ccc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.69
PKM P14618 3/20 0.69
POLB P06746 1/20 0.69
ATM Q13315 1/20 0.56
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL12225974 0.91 ALDH1A1 (0.57) ALDH1A1PKMPOLBATMHPGD
SCHEMBL1493311 0.72 ALDH1A1 (0.76) ALDH1A1PKMPOLBHPGDMEN1
SCHEMBL7934295 0.72 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL2538104 0.71 MEN1 (0.58) ALDH1A1PKMPOLBHPGDMEN1
SCHEMBL334877 0.71 PKM (0.70) ALDH1A1PKMPOLBATMHPGD
SCHEMBL1493421 0.70 ALDH1A1 (0.59) ALDH1A1PKMPOLBHPGDMEN1
SCHEMBL17708393 0.69 ALDH1A1 (0.65) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL7924136 0.69 ALDH1A1 (0.58) ALDH1A1PKMATMHPGDMEN1
SCHEMBL14605928 0.69 ALDH1A1 (0.64) ALDH1A1PKMPOLBATMHPGD
SCHEMBL14605924 0.68 ALDH1A1 (0.62) ALDH1A1PKMPOLBHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2011-10-20 US disclosed
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2011-10-20 US disclosed
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2011-10-20 US disclosed
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO disclosed
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 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 (1 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-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE SARAF, CACNA1I, ORAI1 ALDH1A1 4357/4885PKM 3410/4885POLB 4801/4885

“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.