SCHEMBL6840904

SCHEMBL6840904

COC(=O)c1cc(C(=O)OC)cc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.60
SLC6A2 P23975 4/20 0.60
SLC6A4 P31645 2/20 0.60
PLAU P00749 4/20 0.58
ALPL P05186 1/20 0.57
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CYP19A1 P11511 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
PTPN11 Q06124 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL29600590 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4PLAUALPL
SCHEMBL18883017 0.91 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4PLAUALPL
SCHEMBL7815690 0.89 PLAU (0.71) SLC6A3SLC6A2SLC6A4PLAUALPL
SCHEMBL15009048 0.84 RARB (0.55) PLAUCYP11B1CYP11B2CYP19A1KDM4E
SCHEMBL14743822 0.81 PLAU (0.63) PLAUCYP11B1CYP11B2CYP19A1SIRT2
SCHEMBL1003761 0.80 KDM4E (0.62) SLC6A3SLC6A2SLC6A4PLAUCYP11B1
SCHEMBL13900228 0.80 CYP11B1 (0.69) SLC6A3SLC6A2SLC6A4PLAUCYP11B1
SCHEMBL7823750 0.80 TSHR (0.63) KDM4EALDH1A1TSHR
SCHEMBL2355805 0.80 PLAU (0.56) SLC6A3SLC6A2SLC6A4PLAUALPL
SCHEMBL269272 0.80 PLAU (0.52) PLAUCYP11B1CYP11B2CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (2 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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 SLC6A3 4401/4885SLC6A2 4305/4885SLC6A4 3983/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 SLC6A3 4401/4885SLC6A2 4305/4885SLC6A4 3983/4885

“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.