SCHEMBL13995396

SCHEMBL13995396

CCC(C)c1ccc(S(=O)(=O)CC)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PSIP1 O75475 2/20 0.37
GABRA2 P47869 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL13055320 0.87 LMNA (0.42) PTGDR2ALDH1A1MAPT
SCHEMBL27709890 0.83 PTGDR2 (0.39) PTGDR2ALDH1A1POLBGAAMAPT
SCHEMBL13995395 0.76 RORC (0.49) PTGDR2RORC
SCHEMBL13601374 0.76 MAPK1 (0.48) PTGDR2ALDH1A1POLBGAAMAPT
SCHEMBL17069212 0.74 TP53 (0.59) MEN1KMT2ARORC
SCHEMBL16770543 0.74 TP53 (0.59) MEN1KMT2ARORC
SCHEMBL2632875 0.74 TP53 (0.59) MEN1KMT2ARORC
SCHEMBL13995388 0.73 RORC (0.45) PTGDR2ALDH1A1POLBGAAPSIP1
SCHEMBL18713628 0.73 BRD4 (0.43) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7948250 0.73 GAA (0.44) PTGDR2ALDH1A1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 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 (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-20080312229-A1 Organic Compounds DRD4, DRD1, SLC10A6 PTGDR2 791/4885ALDH1A1 248/4885POLB 1664/4885

“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.