SCHEMBL1868624

SCHEMBL1868624

COC(=O)c1cc(Br)cc(OC(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.64
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
HTR2C P28335 1/20 0.44
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42

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
SCHEMBL31401414 1.00 NOTUM (0.64) NOTUMCA1CA2CA7CA9
SCHEMBL26616653 0.89 NOTUM (0.59) NOTUMCA1CA2CA7CA9
SCHEMBL30293918 0.89 NOTUM (0.59) NOTUMCA1CA2CA7CA9
SCHEMBL24017285 0.88 NOTUM (0.57) NOTUMCA1CA2CA7CA9
SCHEMBL475839 0.88 NOTUM (0.50) NOTUMCA1CA2CA7CA9
SCHEMBL13807307 0.85 NOTUM (0.45) NOTUMCA1CA2CA7CA9
SCHEMBL24148488 0.84 CA1 (0.52) NOTUMCA1CA2CA7CA9
SCHEMBL2829423 0.84 CA1 (0.49) NOTUMCA1CA2CA7CA9
SCHEMBL29482059 0.83 WDR5 (0.51) NOTUMCA1CA2CA7CA9
SCHEMBL1871974 0.83 WDR5 (0.51) NOTUMCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612386-B2 Heteroaryl-triazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2026-04-28 US disclosed
US-12610949-B2 Heteroaryl-triazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2026-04-28 US disclosed
EP-4041393-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2026-04-08 EP disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
EP-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 EP disclosed
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-08-29 US disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
CN-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 CN disclosed
EP-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
EP-3062792-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH Celgene International II Sarl (CH) 2016-09-07 EP disclosed
US-9388147-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis Celgene International II Sárl (CH) 2016-07-12 US disclosed
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
WO-2015066515-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS, INC. (US) 2015-05-07 WO disclosed
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-09-05 US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 US disclosed
CN-102762100-A Selective sphingosine-1-phosphate receptor modulators and chiral synthesis methods RECEPTOS INC 2012-10-31 CN disclosed
EP-2498610-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 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 (8 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-12610949-B2 Heteroaryl-triazole compounds as pesticides CTRL, PTMS, DDT NOTUM 1333/4885CA1 3529/4885CA2 1984/4885
US-12612386-B2 Heteroaryl-triazole compounds as pesticides CBR3, CYCS, HCN1 NOTUM 2255/4885CA1 823/4885CA2 552/4885
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 NOTUM 2686/4885CA1 2961/4885CA2 1918/4885
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 NOTUM 2706/4885CA1 2979/4885CA2 1918/4885
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 NOTUM 3816/4885CA1 431/4885CA2 181/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 NOTUM 1802/4885CA1 4318/4885CA2 3433/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP NOTUM 3014/4885CA1 4853/4885CA2 4637/4885
US-20130231326-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 NOTUM 2686/4885CA1 2961/4885CA2 1918/4885

“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.