SCHEMBL4044183

SCHEMBL4044183

Clc1ccc([Zn]I)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PNMT P11086 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL3246739 0.67 — —
SCHEMBL80565 0.63 — —
SCHEMBL30469268 0.63 — —
1,2-Dichlorobenzene SCHEMBL28388766 0.61 TSHR (0.71) TSHRIDO1ALDH1A1PNMTTAAR1
SCHEMBL29349499 0.61 — —
SCHEMBL29769221 0.61 AHR (1.00) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL8873179 0.61 TP53 (1.00) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL137915 0.61 AHR (1.00) AHRTP53TSHRHSD17B10CYP3A4
SCHEMBL22730 0.61 — —
SCHEMBL11592033 0.61 AHR (0.48) AHRTP53TSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 — — EP disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 — — US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 — — US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 — — US disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 — — US disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 — — US disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 — — EP disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 — — WO disclosed
US-6593480-B2 Obesity, hyperglycemia ABBOTT LABORATORIES 2003-07-15 — — US disclosed
WO-2002070507-A2 GLYCORTICOID RECEPTOR ANTAGONISTS FOR TREATMENT OF DIABETES ABBOTT LABORATORIES (US) 2002-09-12 — — WO disclosed
US-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes KARO BIO AB (SE) 2001-11-15 — — US 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 (4 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 AHR 1541/4885TP53 3668/4885TSHR 4215/4885
US-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes NR3C1, GPR119, NR3C2 AHR 2467/4885TP53 4421/4885TSHR 226/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 AHR 2065/4885TP53 3830/4885TSHR 3679/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 AHR 2065/4885TP53 3830/4885TSHR 3679/4885

“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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