SCHEMBL3982941

SCHEMBL3982941

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCNCC3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.48
EP300 Q09472 9/20 0.47
CREBBP Q92793 1/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
Hydrochloric Acid SCHEMBL15538835 0.99 KDM1A (0.47) KDM1AEP300CREBBPPTGS1PTGS2
Hydrochloric Acid SCHEMBL387125 0.99 KDM1A (0.47) KDM1AEP300CREBBPPTGS1PTGS2
SCHEMBL4050547 0.86 KDM1A (0.49) KDM1AEP300CREBBPPTGS1PTGS2
SCHEMBL12659968 0.83 TDP1 (0.58) KDM1APTGS1PTGS2IKBKBCHUK
SCHEMBL15539741 0.82 KCNH2 (0.43) PTGS1PTGS2KCNH2
Hydrochloric Acid SCHEMBL384404 0.82 TDP1 (0.61) KDM1APTGS1PTGS2IKBKBCHUK
SCHEMBL3986213 0.81 PTGS1 (0.43) PTGS1PTGS2KCNH2
SCHEMBL12659969 0.81 IKBKB (0.46) KDM1AEP300PTGS1PTGS2IKBKB
SCHEMBL5564172 0.79 TDP1 (0.63) KDM1APTGS1PTGS2IKBKBCHUK
SCHEMBL385101 0.79 GPR183 (0.58) KDM1AEP300PTGS1PTGS2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 KDM1A 4789/4885EP300 4130/4885CREBBP 2984/4885

“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.