SCHEMBL3297101

SCHEMBL3297101

COC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.66
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA12 O43570 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA14 Q9ULX7 2/20 0.57
▸ SRD5A2 P31213 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ ELANE P08246 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ FABP2 P12104 1/20 0.50
▸ PPARG P37231 1/20 0.50

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
SCHEMBL196916 0.94 CA1 (0.64) HPGDCA1CA2CA12CA9
SCHEMBL2337244 0.89 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL14926631 0.88 CA1 (0.58) CA1CA2CA12CA9CA14
SCHEMBL27541114 0.86 CA1 (0.55) HPGDCA1CA2CA12CA9
SCHEMBL15670317 0.84 CA1 (0.62) HPGDCA1CA2CA12CA9
SCHEMBL28266243 0.84 DHODH (0.58) HPGDCA1CA2CA12CA9
SCHEMBL7411708 0.82 ALDH1A1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL7411710 0.82 NPC1 (0.60) HPGDCA1CA2CA12CA9
SCHEMBL14393071 0.82 KMT2A (0.69) HPGDCA1CA2CA12CA9
SCHEMBL14367127 0.82 KMT2A (0.69) HPGDCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 — — US disclosed
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 — — US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 — — US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 — — US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 — — US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 — — US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 — — US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 — — US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 — — US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 — — US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 — — US disclosed
US-4067791-A BIS/DIETHYLAMINO/BENZOPHENONE AND BENZOYLBENZOIC ACID ESTER AS PHO OINITIATORS TOYO INK MANUFACTURING CO., LTD. (JA) 1978-01-10 — — US 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 (7 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C HPGD 701/4885CA1 4759/4885CA2 3172/4885
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 HPGD 2089/4885CA1 3541/4885CA2 886/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 HPGD 2089/4885CA1 3541/4885CA2 886/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A HPGD 486/4885CA1 4801/4885CA2 3261/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 HPGD 593/4885CA1 2401/4885CA2 3883/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 HPGD 741/4885CA1 4282/4885CA2 1457/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 HPGD 85/4885CA1 2605/4885CA2 515/4885

“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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