SCHEMBL4469836

SCHEMBL4469836

CS(=O)(=O)OCCOc1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.42
PTPN1 P18031 2/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL6277239 0.83 L3MBTL1 (0.49) APPPTPN1TSHRKDM4EALDH1A1
SCHEMBL11445546 0.81 CYP1A2 (0.50) PTPN1CA1CA2CA9TSHR
SCHEMBL16964735 0.81 CA12 (0.47) PTPN1CA1CA2CA9TSHR
SCHEMBL1751861 0.81 KDM4E (0.45) PTPN1CA1CA2CA9TSHR
SCHEMBL3947128 0.81 LTA4H (0.50) APPPTPN1ALDH1A1NPC1RAB9A
SCHEMBL6271706 0.81 MEN1 (0.46) PTPN1CA1CA2CA9ALDH1A1
SCHEMBL7976554 0.81 KCNA3 (0.52) ALDH1A1RAB9AMAPT
SCHEMBL6276346 0.80 LMNA (0.51) PTPN1CA1CA2CA9TSHR
SCHEMBL18588160 0.79 APP (0.44) APPPTPN1CA1CA2CA9
SCHEMBL15923120 0.79 NPC1 (0.59) CA1CA2CA9TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 APP 4260/4885PTPN1 1776/4885CA1 4813/4885

“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.