SCHEMBL3767923

SCHEMBL3767923

CSSc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
CYP26A1 O43174 1/20 0.45
FFAR1 O14842 1/20 0.44
POLB P06746 3/20 0.43
NSD2 O96028 1/20 0.43
GRK2 P25098 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL225546 0.87 CA2 (0.60) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL15693005 0.84 POLB (0.46) CA2CAMK2AHSD17B10ALDH1A1HPGD
SCHEMBL46640 0.83 CA2 (0.56) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL22415047 0.82 AKR1B1 (0.64) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL13464286 0.79 CA2 (0.60) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL21654480 0.78 CA2 (0.46) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL20646681 0.78 AOC2 (0.51) HPGDHTT
SCHEMBL69614 0.78 CA2 (0.79) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL8362761 0.77 CA2 (0.58) CA2CAMK2AAKR1B1HSD17B10ALDH1A1
SCHEMBL19401304 0.77 KDM4E (0.49) CA2CAMK2AAKR1B1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847119-B2 Drug conjugates THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-12-07 US disclosed
US-20080139815-A1 DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-12 US disclosed
US-7282590-B2 Selectively target tumor cells with highly potent cytotoxic drugs at a drug release rate that is effective for the destruction and/or inhibition of tumor cells THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-10-16 US disclosed
EP-1718335-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-11-08 EP disclosed
US-20050232928-A1 Drug conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-20 US disclosed
WO-2005079398-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-09-01 WO 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 (2 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-20050232928-A1 Drug conjugates RXRB, NR0B1, RXRA CA2 2588/4885CAMK2A 2653/4885AKR1B1 314/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA CA2 2503/4885CAMK2A 2595/4885AKR1B1 333/4885

“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.