SCHEMBL2847745

SCHEMBL2847745

CC1N(CCCCS(=O)(=O)O)c2ccccc2C1(C)CCCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TOP1 P11387 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
APEX1 P27695 1/20 0.31
USP2 O75604 1/20 0.31
EGFR P00533 1/20 0.31
TBXA2R P21731 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL30372451 0.95 GAA (0.37) GAAALDH1A1TOP1FABP4FABP5
SCHEMBL15137506 0.82 POLB (0.32) GAAAPEX1POLB
SCHEMBL3878105 0.81 DRD2 (0.38) GAAALDH1A1TBXA2RMEN1POLB
SCHEMBL1714490 0.78 USP2 (0.38) APEX1USP2HDAC1HDAC6
SCHEMBL29738288 0.77 DRD2 (0.38) GAAALDH1A1MEN1POLBKMT2A
SCHEMBL14454734 0.77 FABP4 (0.41) GAATOP1FABP4FABP5USP2
SCHEMBL4591369 0.77 DRD2 (0.38) GAAALDH1A1MEN1POLBKMT2A
SCHEMBL12136664 0.77 GAA (0.32) GAAALDH1A1TOP1MEN1POLB
SCHEMBL18439061 0.77 HTR7 (0.32) MEN1KMT2A
SCHEMBL997083 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129293-A1 Near Infrared Imaging Agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2010-05-27 US disclosed
US-7655217-B2 Near infrared imaging agent Institut fur Diagnosikforschung GmbH (DE) 2010-02-02 US disclosed
US-7445767-B2 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2008-11-04 US disclosed
US-20060165599-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2006-07-27 US disclosed
US-20060165598-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-07-27 US disclosed
US-7025949-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-04-11 US disclosed
US-6926885-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2005-08-09 US disclosed
US-20050169844-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-08-04 US disclosed
US-6913743-B2 As contrast medium for fluorescence and transillumination diagnostics; drugs INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-07-05 US disclosed
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-05-19 US disclosed
EP-1181940-B1 In vivo diagnostics by near infrared radiation DIAGNOSTIKFORSCHUNG INST (DE) 2004-12-22 EP disclosed
US-20030170179-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITA (COPY) 2003-09-11 US disclosed
EP-0796111-B1 IN-VIVO DIAGNOSTIC PROCESS BY NEAR INFRARED RADIATION USING CYANINE DYES DIAGNOSTIKFORSCHUNG INST (DE) 2003-04-23 EP disclosed
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2003-02-06 US disclosed
EP-1181940-A2 In vivo diagnostics by near infrared radiation INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2002-02-27 EP disclosed
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2001-12-27 US disclosed
US-6258340-B1 USING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS EACH HAVING SPECIFIC PHOTOPHYSICAL AND PHARMOCHEMICAL PROPERTIES INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2001-07-10 US disclosed
US-6083485-A USEING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS AS CONTRAST MEDIUM FOR FLUORESCENCE AND TRANSILLUMINATION DIAGNOSTICS IN THE NEAR INFRARED RADIATION RANGE INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2000-07-04 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-20060165598-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 GAA 1632/4885ALDH1A1 127/4885TOP1 491/4885
US-20100129293-A1 Near Infrared Imaging Agent UGT1A10, ABCG2, SLCO1B1 GAA 1404/4885ALDH1A1 152/4885TOP1 488/4885
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 GAA 1632/4885ALDH1A1 127/4885TOP1 491/4885
US-20050169844-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 GAA 1404/4885ALDH1A1 152/4885TOP1 488/4885
US-20060165599-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 GAA 1404/4885ALDH1A1 152/4885TOP1 488/4885
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 GAA 1100/4885ALDH1A1 153/4885TOP1 791/4885
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 GAA 1100/4885ALDH1A1 153/4885TOP1 791/4885
US-20030170179-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 GAA 1404/4885ALDH1A1 152/4885TOP1 488/4885

“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.