SCHEMBL12094255

SCHEMBL12094255

C[C@@H](N)c1ccc(F)c(OC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.43
▸ DUT P33316 1/20 0.42
▸ PDE4A P27815 12/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ PDE4B Q07343 4/20 0.38
▸ PDE4D Q08499 3/20 0.37
▸ PDE4C Q08493 2/20 0.37

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
Hydrochloric Acid SCHEMBL22723238 0.98 APP (0.42) APPDUTPDE4APTGS1PTGS2
Hydrochloric Acid SCHEMBL22723239 0.98 APP (0.42) APPDUTPDE4APTGS1PTGS2
SCHEMBL16203391 0.89 APP (0.43) APPDUTPDE4APTGS1PTGS2
SCHEMBL9989172 0.88 APP (0.45) APPPDE4APTGS1PTGS2HIF1A
SCHEMBL13091309 0.88 DUT (0.44) APPDUTPDE4APTGS1PTGS2
SCHEMBL12810266 0.87 PDE4D (0.45) DUTPDE4APDE4BPDE4DPDE4C
SCHEMBL21690290 0.85 PTGS1 (0.43) APPDUTPDE4APTGS1PTGS2
SCHEMBL21533928 0.84 DUT (0.41) APPDUTPDE4APTGS1PTGS2
SCHEMBL22170165 0.82 DUT (0.48) APPDUTPDE4APTGS1PTGS2
SCHEMBL15247548 0.82 DUT (0.48) APPDUTPDE4APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508185-A1 ANTI-TUMOR EFFECT POTENTIATOR Taiho Pharmaceutical Co., Ltd. (JP) 2012-10-10 — — EP disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
US-20120225838-A1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 — — US disclosed
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
WO-2011065541-A1 ANTI-TUMOR EFFECT POTENTIATOR 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 — — EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 — — 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 (1 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-20120225838-A1 ANTI-TUMOR EFFECT POTENTIATOR CCNT1, CCNA1, UPP1 APP 4793/4885DUT 305/4885PDE4A 2346/4885

“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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