SCHEMBL3301528

SCHEMBL3301528

CC(C)NC(=S)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PTGES O14684 2/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
CA12 O43570 1/20 0.40
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL3301559 0.80 ALDH1A1 (0.50) TSHRNPC1MAPTALDH1A1
SCHEMBL7743268 0.74 TSHR (0.61) TSHRNPC1MAPTCA1CA2
Isopropyl Alcohol SCHEMBL29076646 0.72 TSHR (0.71) TSHRNPC1CA1CA2CA9
SCHEMBL204703 0.71 TSHR (0.56) TSHRNPC1CA1CA2CA9
SCHEMBL10165853 0.70 TSHR (0.50) TSHRNPC1MAPTCA1CA2
SCHEMBL10848696 0.70 CA1 (0.51) TSHRCA1CA2CA9CA7
SCHEMBL5450319 0.70 TSHR (0.61) TSHRNPC1MAPTCA1CA2
SCHEMBL11209753 0.69 TSHR (0.54) TSHRCA1CA2CA9CA7
SCHEMBL24752912 0.69 ATM (0.49) TSHRCA1CA2CA9CA12
SCHEMBL308291 0.69 ATM (0.64) TSHRALDH1A1

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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
CN-101616900-A Peroxisome proliferator activated receptor modulators LILLY CO ELI 2009-12-30 CN disclosed
EP-2129667-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-12-09 EP disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 WO disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD TSHR 76/4885PTGES 888/4885NPC1 546/4885

“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.