SCHEMBL3239648

SCHEMBL3239648

O=S(=O)(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
P2RX7 Q99572 2/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
FAAH O00519 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PRSS3 P35030 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL3246587 0.83 P2RX7 (0.44) HSD11B1TSHRHPGDALDH1A1NPC1
SCHEMBL19798461 0.76 P2RX7 (0.48) HSD11B1TSHRHPGDALDH1A1P2RX7
SCHEMBL19798459 0.75 EPHX2 (0.50) HSD11B1TSHRHPGDALDH1A1NPC1
SCHEMBL19808495 0.73 P2RX7 (0.56) HSD11B1TSHRHPGDALDH1A1P2RX7
SCHEMBL3240736 0.72 GAA (0.47) TSHRHPGDALDH1A1NPC1RAB9A
SCHEMBL13069802 0.68 GAA (0.36) HSD11B1TSHRALDH1A1EPHX2KMT2A
SCHEMBL354182 0.67 MEN1 (0.56) HSD11B1TSHRHPGDALDH1A1P2RX7
SCHEMBL19798474 0.67 CHRM2 (0.50) HSD11B1TSHRHPGDALDH1A1CA1
SCHEMBL22656764 0.67 CA1 (0.50) ALDH1A1MAPK1EPHX2CA1CA2
SCHEMBL3323112 0.66 ALDH1A1 (0.38) HSD11B1TSHRALDH1A1P2RX7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HSD11B1 413/4885TSHR 2306/4885HPGD 3923/4885

“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.