SCHEMBL3196141

SCHEMBL3196141

CCC(C)(C)C(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RIPK1 Q13546 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DAO P14920 1/20 0.48
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 1/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL22955796 0.86 TSHR (0.49) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL2173910 0.84 TSHR (0.50) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL4867753 0.83 CES2 (0.52) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL1925969 0.81 TSHR (0.47) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL3732383 0.80 CES2 (0.58) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL3181932 0.80 CES2 (0.58) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL15120382 0.79 CES2 (0.56) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL4498835 0.77 TSHR (0.48) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL31388183 0.77 TSHR (0.44) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL7037574 0.76 CES2 (0.58) TSHRALDH1A1NPC1RAB9AKMT2A

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-7659411-B2 Process for producing 2-acylthiophene compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-02-09 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20070149787-A1 Process for producing 2-acylthiophene compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2007-06-28 US disclosed
EP-1695972-A1 PROCESS FOR PRODUCING 2-ACYLTHIOPHENE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-08-30 EP 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-20070149787-A1 Process for producing 2-acylthiophene compound AGPAT2, MOGAT2, TPST2 TSHR 1217/4885ALDH1A1 111/4885NPC1 3154/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 TSHR 1343/4885ALDH1A1 2036/4885NPC1 2415/4885

“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.