SCHEMBL2679174

SCHEMBL2679174

O=C(O)c1cc(-c2cncs2)ccc1Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ EIF4E P06730 4/20 0.38
▸ XDH P47989 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ GRIK3 Q13003 1/20 0.38
▸ CD38 P28907 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36

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
SCHEMBL1784081 0.88 ALDH1A1 (0.47) RORCEIF4EXDHALDH1A1TP53
SCHEMBL1786530 0.76 CD38 (0.50) EIF4EALDH1A1CD38LMNA
SCHEMBL31266813 0.70 DHODH (0.43) TP53KMT2ALMNA
SCHEMBL30987723 0.69 SLC22A12 (0.47) FEN1CD38
SCHEMBL27272888 0.69 SLC22A12 (0.47) FEN1CD38
SCHEMBL22608078 0.69 AHR (0.50) ALDH1A1CD38
SCHEMBL122520 0.69 ACMSD (0.63) PTGER1XDHALDH1A1TP53ERCC5
SCHEMBL2771204 0.68 ALDH1A1 (0.68) PTGER1XDHALDH1A1TP53ERCC5
SCHEMBL4881566 0.68 ALDH1A1 (0.58) PTGER1EIF4EXDHALDH1A1TP53
SCHEMBL31125568 0.67 KMO (0.55) LMNA

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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 — — US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 — — EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 — — US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 — — US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — 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 (3 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PTGER1 555/4885RORC 882/4885EIF4E 1222/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R PTGER1 1175/4885RORC 1687/4885EIF4E 552/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R PTGER1 1656/4885RORC 1595/4885EIF4E 1198/4885

“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.

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