SCHEMBL3316267

SCHEMBL3316267

COC(=O)c1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ PTPN11 Q06124 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ HGFAC Q04756 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NOTUM Q6P988 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ PLAU P00749 2/20 0.44
▸ CXCR2 P25025 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PLG P00747 1/20 0.43

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
SCHEMBL2113911 0.97 STS (0.47) STSHSD11B1PTPN11KDM4EHGFAC
SCHEMBL15912453 0.89 PLAU (0.52) STSHSD11B1RAB9ACA1CA2
SCHEMBL1928327 0.86 STS (0.65) STSKDM4ERAB9ACA1CA2
SCHEMBL18453430 0.85 HSD11B1 (0.56) STSHSD11B1KDM4ERAB9ACA1
SCHEMBL5865527 0.85 STS (0.52) STSHSD11B1KDM4ERAB9ACA1
SCHEMBL25314535 0.84 NOTUM (0.45) STSPTPN11KDM4EHGFACRAB9A
SCHEMBL1050436 0.84 POLB (0.50) STSRAB9ACA1CA2ALDH1A1
SCHEMBL30697344 0.83 STS (0.53) STSPTPN11KDM4EHGFACRAB9A
SCHEMBL14526611 0.83 STS (0.53) STSPTPN11KDM4EHGFACRAB9A
SCHEMBL6132404 0.82 STS (0.59) STSRAB9ACA1CA2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108631-B 6-amino-7-bicyclic-7-deaza-purine derivatives as protein kinase inhibitors 内尔维阿诺医学科学有限公司 2020-06-16 — — CN disclosed
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-03-05 — — US disclosed
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-03-05 — — US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 — — US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 — — US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 — — US disclosed
EP-3218378-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2017-09-20 — — EP disclosed
WO-2016075224-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-19 — — WO disclosed
WO-2016075224-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-19 — — WO disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — US disclosed
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 — — EP disclosed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 — — EP disclosed
EP-1501801-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2005-02-02 — — EP disclosed
WO-2003093237-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2003-11-13 — — 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 (4 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H STS 2660/4885HSD11B1 2544/4885PTPN11 3117/4885
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, RET, ADK STS 4548/4885HSD11B1 4544/4885PTPN11 895/4885
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors DCK, RET, PRKCA STS 4422/4885HSD11B1 4202/4885PTPN11 939/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B STS 1450/4885HSD11B1 3015/4885PTPN11 3292/4885

“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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