SCHEMBL516638

SCHEMBL516638

O=S(=O)(Cl)c1nc2ccccc2cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.45
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ALPL P05186 2/20 0.38
GAA P10253 2/20 0.36
HTR3A P46098 1/20 0.35
STAT3 P40763 1/20 0.35
IKBKB O14920 1/20 0.35
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL20338486 0.84 GLP1R (0.49) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL27581712 0.84 ALDH1A1 (0.43) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL29980480 0.84 GLP1R (0.49) ALDH1A1GLAHPGDMAPTACHE
Acridine SCHEMBL1051621 0.76 ALDH1A1 (0.71) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL29911341 0.71 KMT2A (0.59) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL244868 0.71 KMT2A (0.59) ALDH1A1GLAHPGDMAPTACHE
Phosphoric Acid SCHEMBL27955583 0.70 KMT2A (0.49) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL31278632 0.70 KMT2A (0.57) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL1467074 0.68 ALDH1A1 (0.59) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL538069 0.68 ALDH1A1 (0.52) ALDH1A1GLAHPGDMAPTACHE

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-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885GLA 466/4885HPGD 526/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885GLA 466/4885HPGD 526/4885

“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.