SCHEMBL2551749

SCHEMBL2551749

OB(O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.61
CA1 P00915 3/20 0.61
MGLL Q99685 2/20 0.61
ORAI1 Q96D31 1/20 0.59
ORAI2 Q96SN7 1/20 0.59
ORAI3 Q9BRQ5 1/20 0.59
TRPV6 Q9H1D0 1/20 0.59
ENPP2 Q13822 5/20 0.48
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
TSHR P16473 1/20 0.46
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5508 0.92 ORAI1 (0.68) CA2CA1MGLLORAI1ORAI2
SCHEMBL21979751 0.92 ORAI1 (0.68) CA2CA1MGLLORAI1ORAI2
SCHEMBL18839425 0.89 ORAI1 (0.65) CA2CA1MGLLORAI1ORAI2
SCHEMBL13667445 0.86 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL18394607 0.86 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL806835 0.86 CA2 (0.78) CA2CA1MGLLENPP2LPL
SCHEMBL9989124 0.83 ORAI1 (0.46) CA2CA1MGLLORAI1ORAI2
SCHEMBL29262949 0.83 CA2 (0.74) CA2CA1MGLLENPP2LPL
Phenylboronic Acid SCHEMBL28610016 0.82 ENPP2 (0.70) CA2CA1MGLLORAI1ORAI2
SCHEMBL13806989 0.80 ORAI1 (0.54) CA2CA1MGLLORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 CN disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 CN disclosed
US-12030875-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2024-07-09 US disclosed
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 EP disclosed
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 EP disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-11723271-B2 Organic compound, and electronic component and electronic device therefor SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
EP-2518075-A1 INDUCED LAYER MATERIAL FOR PREPARING NON-PLANAR METAL PHTHALOCYANINE WEAK EPITAXY GROWTH THIN FILM Shanghai Casail Display Technology Ltd. (CN) 2012-10-31 EP disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE SHANGHAI CASAIL DISPLAY TECHNOLOGY LTD. (CN) 2011-06-23 US disclosed
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE SHANGHAI CASAIL DISPLAY TECHNOLOGY LTD. (CN) 2011-06-23 US disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 CA2 2798/4885CA1 4586/4885MGLL 3179/4885
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN5 CA2 1627/4885CA1 4536/4885MGLL 515/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CA2 561/4885CA1 612/4885MGLL 2688/4885
US-12030875-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 CA2 4185/4885CA1 4763/4885MGLL 4797/4885
US-11723271-B2 Organic compound, and electronic component and electronic device therefor OR51E2, CYP4F11, OR10J3 CA2 4425/4885CA1 4535/4885MGLL 2538/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 CA2 1627/4885CA1 4536/4885MGLL 515/4885
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE CDYL, PAX3, PAXBP1 CA2 373/4885CA1 256/4885MGLL 4029/4885

“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.