SCHEMBL2533231

SCHEMBL2533231

Cc1ccc(C)c(-n2nnnc2SC(F)(F)c2c(F)c(F)c(F)c(F)c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.53
TSHR P16473 5/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
USP2 O75604 1/20 0.44
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7924136 0.77 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL15337542 0.76 ALDH1A1 (0.66) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL7934295 0.69 ALDH1A1 (0.61) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL17708393 0.69 ALDH1A1 (0.65) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL1493445 0.69 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL1493311 0.68 ALDH1A1 (0.76) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL1493503 0.67 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL2008843 0.66 ALDH1A1 (0.62) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL7924284 0.66 ALDH1A1 (0.57) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL14605928 0.65 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHTTTP53

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 2 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
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 4357/4885TSHR 4275/4885LMNA 1885/4885

“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.