SCHEMBL19971623

SCHEMBL19971623

O=C(O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)N1CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 2/20 0.46
HSD11B1 P28845 7/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.35
PREP P48147 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD11B2 P80365 3/20 0.34
LMNA P02545 1/20 0.34
PPP5C P53041 2/20 0.32
PPP2CA P67775 1/20 0.32
NPY4R P50391 1/20 0.32

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
SCHEMBL19971622 1.00 TFPI2 (0.46) TFPI2HSD11B1HPGDHTTPREP
SCHEMBL19971624 1.00 TFPI2 (0.46) TFPI2HSD11B1HPGDHTTPREP
SCHEMBL19971619 0.96 HSD11B1 (0.46) TFPI2HSD11B1HPGDPREPALDH1A1
SCHEMBL19971620 0.96 HSD11B1 (0.46) TFPI2HSD11B1HPGDPREPALDH1A1
SCHEMBL19971621 0.96 HSD11B1 (0.46) TFPI2HSD11B1HPGDPREPALDH1A1
SCHEMBL3716685 0.78 HPGD (0.58) TFPI2HSD11B1HPGDHTTALDH1A1
SCHEMBL20585975 0.75 POLB (0.36) TFPI2HSD11B1ALDH1A1TSHRHSD11B2
SCHEMBL20585977 0.75 POLB (0.36) TFPI2HSD11B1ALDH1A1TSHRHSD11B2
SCHEMBL18036560 0.75 POLB (0.36) TFPI2HSD11B1ALDH1A1TSHRHSD11B2
SCHEMBL3106502 0.75 POLB (0.36) TFPI2HSD11B1ALDH1A1TSHRHSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 US claimed
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 US disclosed
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-01-24 US disclosed
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 US disclosed
US-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 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 (4 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP TFPI2 707/4885HSD11B1 552/4885HPGD 302/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP TFPI2 707/4885HSD11B1 552/4885HPGD 302/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP TFPI2 707/4885HSD11B1 552/4885HPGD 302/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP TFPI2 707/4885HSD11B1 552/4885HPGD 302/4885

“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.