SCHEMBL561439

SCHEMBL561439

OCc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.66
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ PKM P14618 1/20 0.44
▸ ADRB2 P07550 3/20 0.44
▸ ADRB1 P08588 2/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ P2RX1 P51575 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1045742 0.83 KLF10 (0.46) KLF10MEN1KMT2ANQO2IDO1
SCHEMBL31085526 0.83 KLF10 (0.44) KLF10CYP2D6IDO1FFAR4KDM4E
SCHEMBL1014987 0.83 KLF10 (0.44) KLF10CYP2D6IDO1FFAR4KDM4E
SCHEMBL3174968 0.82 MEN1 (0.44) KLF10MEN1KMT2AESR1ESR2
SCHEMBL178283 0.82 ESR1 (0.69) KLF10MEN1KMT2AESR1ESR2
SCHEMBL17141554 0.80 MEN1 (0.47) KLF10MEN1KMT2AESR1ESR2
SCHEMBL19347174 0.80 PTGDR2 (0.59) FFAR4
SCHEMBL2000882 0.79 CES2 (0.50) KLF10CYP2D6IDO1KIF11
SCHEMBL1167122 0.79 IDO1 (0.58) KLF10MEN1KMT2ACYP2D6IDO1
SCHEMBL5636034 0.79 KLF10 (0.78) KLF10MEN1KMT2AESR1ESR2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 — — EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 — — US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 — — US disclosed
CN-105555783-B Include the autotaxin inhibitors of heteroaromatic rings benzyl amide ring core 诺华股份有限公司 2017-12-01 — — CN disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 — — US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 — — EP disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 — — CN disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
US-20020188011-A1 Antiviral agents and methods of treating viral infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-12 — — US disclosed
WO-2002085358-A2 ANTIVIRAL AGENTS AND METHODS OF TREATING VIRAL INFECTIONS VION PHARMACEUTICALS, INC. (US) 2002-10-31 — — WO disclosed
CN-1374967-A Compounds for the treatment of ischemia PFIZER PROD INC (US) 2002-10-16 — — CN disclosed
US-6458816-B1 ANTICANCER AGENTS VION PHARMACEUTICALS, INC. 2002-10-01 — — US disclosed
US-20020119955-A1 Modified prodrug forms of AP/AMP NANOTHERAPEUTICS, INC. 2002-08-29 — — US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 — — EP disclosed
WO-2002030424-A1 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS, INC. (US) 2002-04-18 — — WO disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 — — WO disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 — — US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 — — EP 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 (5 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-20020188011-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP KLF10 3653/4885MEN1 4074/4885KMT2A 2374/4885
US-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI KLF10 3282/4885MEN1 1112/4885KMT2A 3346/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI KLF10 3282/4885MEN1 1112/4885KMT2A 3346/4885
US-20020119955-A1 Modified prodrug forms of AP/AMP AP3B1, AP3D1, AP3M1 KLF10 4565/4885MEN1 861/4885KMT2A 3616/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI KLF10 3282/4885MEN1 1112/4885KMT2A 3346/4885

“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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