SCHEMBL743722

SCHEMBL743722

O=C(O)CC1(CC(=O)O)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM1 Q13255 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22292115 0.87 HSD11B1 (0.34) HSD11B1CYP2C19CYP1A2TSHRALDH1A1
SCHEMBL12254218 0.85 TSHR (0.42) HSD11B1CYP2C19CYP1A2TSHRALDH1A1
SCHEMBL3257641 0.85 TSHR (0.33) HSD11B1CYP2C19CYP1A2TSHRALDH1A1
SCHEMBL7272014 0.85 TSHR (0.33) HSD11B1CYP2C19TSHRALDH1A1
SCHEMBL3254927 0.82 FFAR3 (0.32) HSD11B1CYP1A2TSHRL3MBTL1
SCHEMBL16946087 0.80 HTT (0.32) HSD11B1CYP1A2TSHR
SCHEMBL16738685 0.78 CYP2C19 (0.36) HSD11B1CYP2C19CYP1A2TSHRALDH1A1
SCHEMBL13124944 0.77 AKR1B1 (0.39) TSHRALDH1A1HSD17B10
SCHEMBL16946084 0.77 TSHR (0.31) TSHRALDH1A1
SCHEMBL23281437 0.76 FOLH1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN claimed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
US-5648489-A PREPARING 9-((1,3-DIHYDROXY-2-PROPOXY)METHYL)GUANINE FROM A PROTECTED GUANINE AND 2-ACETOXYMETHOXY-1,3-DIACETOXYPROPANE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 1997-07-15 US disclosed
US-5583225-A REACTING N2, N9-DIPROTECTED GUANINE WITH DIACETOXYPROPANE IN THE PRESENCE OF A MIXTURE OF AN ACID AND ACETIC ANHYDRIDE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-12-10 US disclosed
EP-0218415-B1 PROCESS FOR INTERMEDIATES TO 1-CARBAPENEMS AND 1-CARBACEPHEMS THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1990-08-08 EP disclosed
US-4845229-A Process for intermediates to 1-carbapenems and 1-carbacephems UNIVERSITY OF NOTRE DAME DU LAC (US) 1989-07-04 US disclosed
US-4745201-A Process for intermediates to 1-carbapenems and 1-carbacephems UNIVERSITY OF NOTRE DAME DU LAC (US) 1988-05-17 US disclosed
EP-0218415-A1 Process for intermediates to 1-carbapenems and 1-carbacephems THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1987-04-15 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 (1 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 HSD11B1 3197/4885CYP2C19 1738/4885CYP1A2 2115/4885

“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.