SCHEMBL2174618

SCHEMBL2174618

COC(=O)[C@@H](C)Oc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KLK7 P49862 1/20 0.44
ALDH2 P05091 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1B P49286 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
F9 P00740 1/20 0.42
PLAU P00749 1/20 0.42
OGG1 O15527 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7228518 1.00 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2KLK7ALDH2
SCHEMBL14122189 0.88 L3MBTL1 (0.51) ALDH1A1TSHRSMN1; SMN2ALDH2LMNA
SCHEMBL14122191 0.88 L3MBTL1 (0.51) ALDH1A1TSHRSMN1; SMN2ALDH2LMNA
SCHEMBL12407121 0.86 LOXL2 (0.53) ALDH1A1TSHRALDH2LMNAL3MBTL1
SCHEMBL14121970 0.86 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2KLK7ALDH2
SCHEMBL1453864 0.86 L3MBTL1 (0.58) ALDH1A1TSHRSMN1; SMN2ALDH2LMNA
SCHEMBL14121968 0.86 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2KLK7ALDH2
SCHEMBL14122553 0.86 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2KLK7ALDH2
SCHEMBL7845444 0.86 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2ALDH2LMNA
SCHEMBL27850004 0.85 CYP4A11 (0.51) ALDH1A1MTNR1BMAPT

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
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 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 (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-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 ALDH1A1 511/4885TSHR 1812/4885SMN1; SMN2 731/4885

“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.