SCHEMBL1714747

SCHEMBL1714747

COC(=O)c1oc(=O)oc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 3/20 0.40
CELA1 Q9UNI1 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 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
SCHEMBL16267376 0.86 ALDH1A1 (0.46) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL23199034 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16272963 0.75 ALDH1A1 (0.38) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL561288 0.75 CYP1A2 (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL14129723 0.71 ALDH1A1 (0.52) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL8596046 0.70 ALDH1A1 (0.45) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL25099 0.69 TDP1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL4888381 0.69 NPC1 (0.38) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL14129737 0.68 ALDH1A1 (0.48) ALDH1A1MAPTCELA1KDM4ELMNA
SCHEMBL8397225 0.67 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EHPGDIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US claimed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US claimed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US claimed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP claimed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO claimed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO claimed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US claimed
WO-2023190912-A1 POLAR-GROUP-CONTAINING OLEFIN COPOLYMER AND METHOD FOR PRODUCING SAME 日本ポリケム株式会社 2023-10-05 WO disclosed
US-11116849-B2 Hydrogel-linked prodrugs releasing tagged drugs ASCENDIS PHARMA A/S (DK) 2021-09-14 US disclosed
US-10653795-B2 2020-05-19 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
EP-2988783-A1 HYDROGEL-LINKED PRODRUGS RELEASING MODIFIED DRUGS Ascendis Pharma A/S (DK) 2016-03-02 EP disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US disclosed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 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 (8 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR ALDH1A1 1954/4885MAPT 4654/4885CELA1 422/4885
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN ALDH1A1 2737/4885MAPT 4332/4885CELA1 1870/4885
US-10653795-B2 PTMS, MSN, CD44 ALDH1A1 219/4885MAPT 2992/4885CELA1 515/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 ALDH1A1 2749/4885MAPT 4574/4885CELA1 1027/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L ALDH1A1 2991/4885MAPT 4461/4885CELA1 1856/4885
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs PTMS, PGLS, PAM ALDH1A1 193/4885MAPT 1984/4885CELA1 969/4885
US-11116849-B2 Hydrogel-linked prodrugs releasing tagged drugs PTMS, PGLS, PAM ALDH1A1 193/4885MAPT 1984/4885CELA1 969/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 ALDH1A1 2749/4885MAPT 4574/4885CELA1 1027/4885

“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.