Sugi Predict

Sugi Predict / Compounds / SCHEMBL6494516

SCHEMBL6494516

SCHEMBL6494516

O=C(O)c1c(O)ccc(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ SELL P14151 2/20 0.41
▸ SELP P16109 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ AKR1C4 P17516 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ POLB P06746 1/20 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
SCHEMBL31006010 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL22097577 0.86 TTR (0.44) CA12CA1CA2CA7CA9
SCHEMBL30405434 0.80 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL973491 0.80 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9753563 0.80 THRB (0.52) CA12CA1CA2CA7CA9
SCHEMBL6844880 0.78 CYP3A4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL31652996 0.78 DPP4 (0.69) CA12CA1CA2CA7CA9
SCHEMBL433284 0.78 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL147587 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL21807887 0.78 CA1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 — — CN disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 — — US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 — — US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 — — US disclosed
US-11066425-B1 Oxo-substituted compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
US-11066425-B1 Oxo-substituted compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
US-20210147448-A1 OXO-SUBSTITUTED COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-05-20 — — US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 — — US disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 — — US disclosed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 — — WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 — — US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 — — US disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 — — EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 — — 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 (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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 CA12 3056/4885CA1 3379/4885CA2 2029/4885
US-11066425-B1 Oxo-substituted compound CYP51A1, OXA1L, O60361 CA12 3056/4885CA1 3379/4885CA2 2029/4885
US-20210147448-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 CA12 3056/4885CA1 3379/4885CA2 2029/4885
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR CA12 4024/4885CA1 4295/4885CA2 4407/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CA12 3698/4885CA1 2248/4885CA2 1436/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CA12 3698/4885CA1 2248/4885CA2 1436/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 CA12 3056/4885CA1 3379/4885CA2 2029/4885

“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.