SCHEMBL3913155

SCHEMBL3913155

CC(C)[C@H](OS(=O)(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ELANE P08246 2/20 0.40
SLC15A1 P46059 1/20 0.40
ACHE P22303 3/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39

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
SCHEMBL5222478 1.00 ALDH1A1 (0.45) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL8874165 1.00 ALDH1A1 (0.45) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL18256487 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL3525448 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL20276639 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL7313485 0.81 CTSK (0.43) ALDH1A1CTSLCTSSCTSB
SCHEMBL5870158 0.81 CTSK (0.43) ALDH1A1CTSLCTSSCTSB
SCHEMBL8535402 0.81 CTSB (0.47) CTSLCTSSKMT2AMEN1CTSB
SCHEMBL5555255 0.80 CA12 (0.44) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL5133280 0.80 CA12 (0.44) ALDH1A1KMT2AMEN1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-2032530-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 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 (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-20090270417-A1 Organic Compounds REN, ACE, OTC ALDH1A1 136/4885CTSL 415/4885CTSS 269/4885

“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.