Sugi Predict

Sugi Predict / Compounds / SCHEMBL315108

SCHEMBL315108

SCHEMBL315108

CCC(C(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.35
▸ AKR1A1 P14550 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ HSPD1 P10809 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ HSPE1 P61604 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
Ether SCHEMBL11242283 0.89 ATM (0.33) CYP2C19LMNAALDH1A1TSHRATM
SCHEMBL9633535 0.84 FFAR3 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10925798 0.82 CA2 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5188446 0.80 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28656014 0.79 ALDH1A1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1132194 0.78 CA2 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5219757 0.78 CA2 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11460745 0.77 HSPD1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10942237 0.77 GAA (0.41) CHRM1TDP1LMNAALDH1A1TSHR
SCHEMBL12891264 0.76 CA2 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060003974-A1 Bile acid derived steroidal dimers with amphiphilic topology having antiproliferative activity COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2006-01-05 — — US claimed
US-4468328-A Purification of 12-O-tetradecanoylphorbol-13-acetate, phorbol, and 4α- THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILL. (US) 1984-08-28 — — US claimed
US-4288635-A Method for the preparation of (E)-4-bromo-2-methylbut-2-en-1-al J. T. BAKER CHEMICAL CO. (US) 1981-09-08 — — US claimed
US-11584937-B2 Compositions and methods for controlling plant growth and development THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-02-21 — — US disclosed
US-11028103-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2021-06-08 — — US disclosed
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-01-14 — — US disclosed
EP-3441071-A1 DERIVATIZED CEPHALOSPORINS Gladius Pharmaceuticals Corporation (CA) 2019-02-13 — — EP disclosed
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-12-25 — — US disclosed
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-11-08 — — US disclosed
EP-2968352-B1 DERIVATIZED 3-STYRYL-CEPHALOSPORINS GLADIUS PHARMACEUTICALS CORP (CA) 2018-09-26 — — EP disclosed
US-9975905-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-05-22 — — US disclosed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 — — US disclosed
US-4075214-A Preparation of leurosidine and novel leurosidine 4'-ethers and esters ELI LILLY AND COMPANY (US) 1978-02-21 — — US disclosed
US-4066753-A Neomycin and paromomycin derivatives CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) 1978-01-03 — — US disclosed
US-4039676-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-08-02 — — US disclosed
US-4039551-A 1-[(Hydroxyamino)methyl]-6-aryl-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1977-08-02 — — US disclosed
US-4034040-A Xylene-diamines as antiviral agents PFIZER INC. (US) 1977-07-05 — — US disclosed
US-4009175-A 1-[(Aminooxy)-methyl]-6-substituted-4H-s-triazolo[4,3-a][1,4] benzodiazepines THE UPJOHN COMPANY (US) 1977-02-22 — — US disclosed
US-3969401-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC WILLIAM H. RORER, INC. (US) 1976-07-13 — — US disclosed
US-3968103-A MICROBIOCIDE ICN PHARMACEUTICALS, INC. (US) 1976-07-06 — — 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 (5 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-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity NR5A2, NPY5R, MC5R CHRM1 394/4885AKR1A1 2222/4885CHRM3 802/4885
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity NR5A2, NPY5R, MC5R CHRM1 394/4885AKR1A1 2222/4885CHRM3 802/4885
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins PEPD, SI, NAALAD2 CHRM1 3452/4885AKR1A1 1524/4885CHRM3 2997/4885
US-20060003974-A1 Bile acid derived steroidal dimers with amphiphilic topology having antiproliferative activity NR1H4, ABCB11, GPBAR1 CHRM1 1531/4885AKR1A1 539/4885CHRM3 3559/4885
US-11028103-B2 Derivatized 3-styryl-cephalosporins PEPD, SI, NAALAD2 CHRM1 3452/4885AKR1A1 1524/4885CHRM3 2997/4885

“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.