SCHEMBL3246587

SCHEMBL3246587

O=S(=O)(CCc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
EPHX2 P34913 4/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
HSD11B1 P28845 3/20 0.42
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3239648 0.83 HSD11B1 (0.48) P2RX7NPC1RAB9AEPHX2ALDH1A1
SCHEMBL3241417 0.69 EPHX2 (0.60) P2RX7NPC1RAB9AEPHX2EPHX1
SCHEMBL3240736 0.69 GAA (0.47) P2RX7NPC1RAB9AEPHX2ALDH1A1
SCHEMBL302785 0.67 CA2 (0.69) ALDH1A1HPGDCA2SMN1; SMN2LMNA
SCHEMBL28060952 0.67 EPHX2 (0.57) P2RX7NPC1RAB9AEPHX2EPHX1
SCHEMBL27599327 0.67 ALDH1A1 (0.53) P2RX7NPC1RAB9AEPHX2EPHX1
SCHEMBL19808604 0.67 EPHX2 (0.51) EPHX2HSD11B1CA2
SCHEMBL1150808 0.67 HPGD (0.56) P2RX7NPC1RAB9AEPHX2EPHX1
SCHEMBL19798461 0.67 P2RX7 (0.48) P2RX7EPHX2ALDH1A1TSHRHPGD
SCHEMBL19798459 0.66 EPHX2 (0.50) P2RX7NPC1RAB9AEPHX2EPHX1

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 P2RX7 4125/4885NPC1 359/4885RAB9A 1488/4885

“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.