SCHEMBL16552187

SCHEMBL16552187

OCC(F)(F)c1ncc(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL15999652 0.83 ALDH1A1 (0.33) PLAUALDH1A1GAAHTT
SCHEMBL16540711 0.83 PLAU (0.40) PLAUHTT
SCHEMBL14921130 0.82 LMNA (0.39) PLAUALDH1A1GAAHTT
SCHEMBL15674757 0.80 PLAU (0.42) PLAUALDH1A1HTT
SCHEMBL14921239 0.79 ALDH1A1 (0.53) PLAUALDH1A1GAAHTT
SCHEMBL29989503 0.77 PLAU (0.40) PLAUALDH1A1HTT
SCHEMBL29268175 0.77 PLAU (0.40) PLAUALDH1A1HTT
SCHEMBL21994706 0.77 PLAU (0.40) PLAUALDH1A1HTT
SCHEMBL16654525 0.77 PLAU (0.40) PLAUALDH1A1HTT
SCHEMBL17917765 0.76 ALDH1A1 (0.35) PLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 — — WO disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 — — US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-08-03 — — US disclosed
US-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-08-03 — — US disclosed
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 — — EP disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 — — US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 — — US disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 — — WO disclosed
WO-2015028427-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-03-05 — — 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 (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-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT ACHE, COX5B, TUBB6 PLAU 2693/4885ALDH1A1 177/4885GAA 271/4885
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 PLAU 4585/4885ALDH1A1 819/4885GAA 1800/4885
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT PLAU 3485/4885ALDH1A1 929/4885GAA 246/4885

“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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