SCHEMBL16774337

SCHEMBL16774337

C#CCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.49
▸ GSTP1 P09211 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ CAMK2A Q9UQM7 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ SRD5A2 P31213 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ TBXAS1 P24557 1/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL19679584 0.95 SRD5A2 (0.54) CA2GSTP1CA12CA1CA4
SCHEMBL31502389 0.84 PLA2G4B (0.47) FFAR1PLA2G4BSRD5A2PPARDTBXAS1
SCHEMBL16364133 0.84 CA2 (0.51) CA2GSTP1CA12CA1CA4
SCHEMBL8012112 0.84 FFAR1 (0.50) CA2FFAR1CAMK2APLA2G4BSRD5A2
SCHEMBL1495264 0.83 FFAR1 (0.59) FFAR1AKR1B1LMNA
SCHEMBL18737335 0.83 CYP19A1 (0.50) CA2GSTP1CA12CA1CA4
SCHEMBL7400264 0.82 FFAR1 (0.50) CA2FFAR1CAMK2APLA2G4BSRD5A2
SCHEMBL3412418 0.81 FFAR1 (0.49) GSTP1FFAR1PPARDAKR1B1PTGS1
SCHEMBL31502473 0.79 PLA2G4B (0.58) FFAR1PLA2G4BTBXAS1LMNAKDM4E
SCHEMBL16774519 0.79 TBXAS1 (0.50) CA2GSTP1CA12CA1CA4

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-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 — — US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 — — US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 — — US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 — — US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 — — US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 — — US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 — — US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 — — US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 — — US disclosed
WO-2015158853-A1 NOVEL NITRIFICATION INHIBITORS BASF SE (DE) 2015-10-22 — — WO disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 — — 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 (4 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 CA2 427/4885GSTP1 199/4885CA12 3663/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT CA2 407/4885GSTP1 95/4885CA12 1592/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 CA2 109/4885GSTP1 770/4885CA12 1205/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 CA2 50/4885GSTP1 303/4885CA12 1012/4885

“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.

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