Sugi Predict

Sugi Predict / Compounds / SCHEMBL5598397

SCHEMBL5598397

SCHEMBL5598397

Cc1ccc(C(Cl)Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ CASR P41180 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ RAPGEF4 Q8WZA2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL8750370 0.83 TRPA1 (0.45) TDP1TP53TRPA1LMNACHRM1
SCHEMBL5492913 0.80 TDP1 (0.42) TDP1TP53TRPA1LMNACHRM1
SCHEMBL30644701 0.80 TDP1 (0.42) TDP1TP53TRPA1LMNACHRM1
SCHEMBL2235269 0.79 TDP1 (0.46) TDP1TP53TRPA1LMNACHRM1
SCHEMBL599102 0.77 TRPA1 (0.60) TDP1TP53TRPA1LMNACHRM1
SCHEMBL29757164 0.77 TRPA1 (0.60) TDP1TP53TRPA1LMNACHRM1
SCHEMBL6546836 0.77 CASR (0.50) TDP1TP53TRPA1LMNACHRM1
SCHEMBL753385 0.75 TDP1 (0.42) TDP1TP53TRPA1LMNACHRM1
SCHEMBL9685032 0.75 TDP1 (0.48) TDP1TP53TRPA1LMNACHRM1
SCHEMBL21091489 0.75 TDP1 (0.42) TDP1TP53TRPA1LMNACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 — — US disclosed
US-6974876-B2 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-13 — — US disclosed
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-08-04 — — US disclosed
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. 2003-12-04 — — US disclosed
EP-0970066-B1 Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent SEARLE & CO (US) 2003-09-17 — — EP disclosed
US-6570027-B2 Forming a diastereoselective epoxide from a chiral alpha-amino aldehyde G. D. SEARLE & CO. 2003-05-27 — — US disclosed
US-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-10-31 — — US disclosed
US-6388094-B1 FORMING AN AMINOEPOXIDE G.D. SEARLE & CO. 2002-05-14 — — US disclosed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 — — EP disclosed
US-6127556-A Epoxide formation by continuous in-situ synthesis process G. D. SEARLE & CO. (US) 2000-10-03 — — US disclosed
US-4978729-A High molecular weight polyarylene sulfide produced from polyarylene sulfide and aromatic dihalogen compound BAYER AKTIENGESELLSCHAFT (DE) 1990-12-18 — — US disclosed
US-4919848-A Process for the quenching of fluorescence, and new cationic naphthalene-peri-dicarboxylic acid imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 — — US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 — — US disclosed
US-4242497-A Production of amino-silicate compounds, condensation resinous products BLOUNT DAVID H 1980-12-30 — — US disclosed
US-4185147-A Production of amino-silicate compounds, condensation resinous products and foam BLOUNT DAVID H 1980-01-22 — — US disclosed
US-4146509-A ORGANIC AMMONIUM COMPOUNDS USED AS POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 — — US disclosed
US-4142030-A POLYURETHANE-SILICATE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-27 — — US disclosed
US-4137360-A POLYURETHANE-POLYSILOXANE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1979-01-30 — — US disclosed
US-4086193-A POLYURETHANE COAGULATED BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 — — US disclosed
US-4042536-A POLYISOCYANATE, SILICIC ACID, XEROGEL BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 — — 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 (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-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP TDP1 1562/4885TP53 2551/4885TRPA1 4863/4885
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP TDP1 1558/4885TP53 2680/4885TRPA1 4868/4885
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP TDP1 1562/4885TP53 2551/4885TRPA1 4863/4885

“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.