SCHEMBL247294

SCHEMBL247294

O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 1.00
LMNA P02545 6/20 0.80
ALDH1A1 P00352 2/20 0.74
TSHR P16473 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP3A4 P08684 2/20 0.57
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL5307153 0.86 SMN1; SMN2 (0.79) PKMLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL27698589 0.79 PKM (0.65) PKMLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL108678 0.79 KDM4E (0.70) TSHRKDM4EMAPK1CYP3A4CYP1A2
SCHEMBL18177903 0.79 KDM4E (0.76) PKMLMNAALDH1A1KDM4EMAPT
SCHEMBL19300185 0.75 CYP2D6 (0.63) PKMTSHRKDM4EMAPK1CYP3A4
SCHEMBL2316901 0.75 CYP2D6 (0.82) LMNAALDH1A1TSHRKDM4EGAA
SCHEMBL5531080 0.74 CYP2D6 (0.58) PKMALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL4753138 0.74 MEN1 (0.66) PKMALDH1A1TSHRKDM4EMAPK1
SCHEMBL7263583 0.73 ALDH1A1 (0.62) PKMLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8170046 0.73 KDM4E (0.62) ALDH1A1TSHRKDM4EMAPK1CYP3A4

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
US-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US claimed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 WO claimed
US-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US disclosed
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 WO disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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 (2 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-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 FBP1, G6PC1, G6PD PKM 1589/4885LMNA 3761/4885ALDH1A1 136/4885
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 PKM 2593/4885LMNA 2937/4885ALDH1A1 1860/4885

“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.