SCHEMBL175497

SCHEMBL175497

Nc1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
ALDH1A1 P00352 7/20 0.59
GFER P55789 5/20 0.59
GAA P10253 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ADRA2C P18825 4/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 1/20 0.59
ESR2 Q92731 1/20 0.59
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL5886091 0.81 KDM4E (0.50) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL6151120 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL7043679 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL23347931 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL24884606 0.79 MAPT (0.64) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL175496 0.79 KDM4E (0.59) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL7232048 0.79 MAPT (0.53) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL23624939 0.76 MAPT (0.55) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL1858354 0.75 ALDH1A1 (0.82) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL33852 0.75 ALDH1A1 (0.91) MAPTALDH1A1GFERGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 US disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed
CN-101589043-A Purine derivatives PALAU PHARMA SA (ES) 2009-11-25 CN 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-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA MAPT 277/4885ALDH1A1 4734/4885GFER 4219/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX MAPT 288/4885ALDH1A1 4307/4885GFER 4710/4885

“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.