SCHEMBL538151

SCHEMBL538151

Oc1cc(C(F)(F)F)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
CYP2C9 P11712 2/20 0.51
PDPK1 O15530 3/20 0.50
PTGS1 P23219 5/20 0.49
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 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
SCHEMBL7406011 0.86 PTGS1 (0.49) PTGS2CYP2C9PTGS1
SCHEMBL537395 0.86 PTGS1 (0.65) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL7402120 0.85 PTGS2 (0.65) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL18865770 0.85 PTGS2 (0.52) PTGS2PDPK1PTGS1HDAC3HDAC4
SCHEMBL7330567 0.84 PTGS1 (0.63) PTGS2CYP2C9PDPK1PTGS1
SCHEMBL537716 0.82 PDPK1 (0.57) PTGS2PDPK1PTGS1
SCHEMBL14434936 0.81 BRAF (0.43) PTGS2CYP2C9PTGS1
SCHEMBL537516 0.81 PTGS2 (0.55) PTGS2PTGS1
Hydrochloric Acid SCHEMBL31546273 0.81 PDPK1 (0.56) PTGS2PDPK1PTGS1
SCHEMBL31420366 0.81 PTGS2 (0.58) PTGS2CYP2C9PDPK1PTGS1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286957-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US disclosed
US-20230286957-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US disclosed
CN-116133523-A Herbicidal compounds 先正达农作物保护股份公司 2023-05-16 CN disclosed
WO-2022013293-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-01-20 WO disclosed
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP 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 (3 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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 PTGS2 1612/4885CYP2C9 81/4885PDPK1 3549/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 PTGS2 413/4885CYP2C9 36/4885PDPK1 3135/4885
US-20230286957-A1 HERBICIDAL COMPOUNDS DDT, NQO2, QSOX1 PTGS2 2596/4885CYP2C9 219/4885PDPK1 2075/4885

“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.