SCHEMBL5134162

SCHEMBL5134162

O=C(O)Sc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
POLB P06746 2/20 0.30
FFAR1 O14842 1/20 0.30
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11687013 0.82 CES1 (0.38) CES2CES1ALDH1A1TSHRDAO
SCHEMBL2039663 0.81 CA12 (0.41) CES2CES1ALDH1A1NAPRTCA12
SCHEMBL2721515 0.81 TSHR (0.33) ALDH1A1TSHRPOLBCYP3A4PARP1
SCHEMBL2294880 0.76 MAPT (0.35) CES2CES1ALDH1A1TSHRMAPT
SCHEMBL4910226 0.76 TSHR (0.35) ALDH1A1TSHRCA12CA1CA2
SCHEMBL23581641 0.76 AKT1 (0.35) ALDH1A1ALOX15CYP3A4MAPTHSD17B10
SCHEMBL4056278 0.76 ALDH1A1 (0.34) ALDH1A1RECQL
SCHEMBL9073847 0.75 KDM4E (0.33) ALDH1A1CA12CA1CA2CA4
SCHEMBL23581634 0.75 CYP3A4 (0.34) CA12CA1CA2CA4CA7
SCHEMBL16862933 0.74 FFAR1 (0.53) ALDH1A1FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087069-B1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE BV (NL) 2019-01-30 EP claimed
US-9969687-B2 Compounds useful as CCR9 modulators NORGINE B.V. (NL) 2018-05-15 US claimed
US-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2017-01-05 US claimed
EP-3087069-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS Norgine BV (NL) 2016-11-02 EP claimed
WO-2015097121-A9 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-09-03 WO claimed
WO-2015097121-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-07-02 WO claimed
EP-3087069-B1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE BV (NL) 2019-01-30 EP disclosed
US-9969687-B2 Compounds useful as CCR9 modulators NORGINE B.V. (NL) 2018-05-15 US disclosed
US-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2017-01-05 US disclosed
EP-3087069-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS Norgine BV (NL) 2016-11-02 EP disclosed
WO-2015097121-A9 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-09-03 WO disclosed
WO-2015097121-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE B.V. (NL) 2015-07-02 WO disclosed
WO-2015003723-A1 SUBSTITUTED 4-PROLINE DERIVATIVES AS IGLUR ANTAGONISTS Københavns Universitet (DK) 2015-01-15 WO disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
EP-1811844-A1 METHODS FOR DIAGNOSIS AND TREATMENT OF CANCER Minerva Biotechnologies Corporation (US) 2007-08-01 EP disclosed
WO-2007053135-A1 METHODS FOR DIAGNOSIS AND TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2007-05-10 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-20170001959-A1 COMPOUNDS USEFUL AS CCR9 MODULATORS CCR9, CCR1, CCR10 SRC 3425/4885CES2 1763/4885CES1 1018/4885
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MUC1, CD44, TP53 SRC 894/4885CES2 3582/4885CES1 3928/4885

“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.