SCHEMBL3220574

SCHEMBL3220574

CS(=O)(=O)CC1(c2ccc([N+](=O)[O-])cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA3 P07451 3/20 0.39
▸ CA4 P22748 3/20 0.39
▸ CA6 P23280 3/20 0.39
▸ CA5A P35218 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA13 Q8N1Q1 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA5B Q9Y2D0 3/20 0.39
▸ KCNJ1 P48048 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ICMT O60725 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ ACHE P22303 2/20 0.38

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
SCHEMBL3235660 0.79 ALDH1A1 (0.41) CA12CA1CA2CA9CYP3A4
SCHEMBL1769275 0.79 POLB (0.39) CA12CA1CA2CA3CA4
SCHEMBL3229047 0.78 NPC1 (0.40) KCNJ1KCNH2MAPTHTR1ENPSR1
SCHEMBL3237033 0.78 TSHR (0.44) CA1CA2MAPTHTR1ENPSR1
SCHEMBL14176144 0.74 ATM (0.49) CA1CA2ICMTMAPTHTR1E
SCHEMBL9110057 0.73 HSD17B10 (0.48) MAPTHTR1ENPSR1S1PR3ACHE
SCHEMBL2817503 0.70 MAOA (0.52) CA12CA1CA2CA3CA4
SCHEMBL1769433 0.70 TSHR (0.47) CA1CA2MAPTHTR1ENPSR1
SCHEMBL5366727 0.70 MAPT (0.43) MAPTHTR1ENPSR1S1PR3LMNA
SCHEMBL26218806 0.70 MAPT (0.49) MAPTHTR1ENPSR1S1PR3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 CA12 3774/4885CA1 3986/4885CA2 2044/4885

“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.

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