SCHEMBL20050469

SCHEMBL20050469

CCOCC(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
BRAF P15056 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGES O14684 1/20 0.32
KDR P35968 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL24281194 1.00 HPGD (0.37) HPGDTSHRRAB9AKMT2AMEN1
SCHEMBL20051620 0.94 KMT2A (0.35) HPGDKMT2AMEN1BRAFALDH1A1
SCHEMBL30739781 0.93 HTT (0.38) HPGDKMT2AMEN1BRAFALDH1A1
SCHEMBL21015087 0.93 HTT (0.38) HPGDKMT2AMEN1BRAFALDH1A1
SCHEMBL20051222 0.93 HTT (0.38) HPGDKMT2AMEN1BRAFALDH1A1
SCHEMBL20051246 0.92 BRAF (0.37) HPGDTSHRKMT2AMEN1BRAF
SCHEMBL24281924 0.92 HPGD (0.40) HPGDTSHRRAB9AKMT2AMEN1
SCHEMBL30739808 0.92 BRAF (0.37) HPGDTSHRKMT2AMEN1BRAF
SCHEMBL24281205 0.91 KMT2A (0.35) HPGDKMT2AMEN1BRAFALDH1A1
SCHEMBL20050420 0.91 KMT2A (0.35) HPGDKMT2AMEN1BRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 US 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 (6 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HPGD 688/4885TSHR 2640/4885RAB9A 558/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HPGD 931/4885TSHR 3272/4885RAB9A 560/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD HPGD 931/4885TSHR 3272/4885RAB9A 560/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD HPGD 997/4885TSHR 3383/4885RAB9A 567/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD HPGD 796/4885TSHR 3687/4885RAB9A 447/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HPGD 688/4885TSHR 2640/4885RAB9A 558/4885

“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.