SCHEMBL19971621

SCHEMBL19971621

O=C(O)N1C[C@@H]2C(C(=O)N3CCCC3)[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
HPGD P15428 2/20 0.43
TFPI2 P48307 1/20 0.42
PREP P48147 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HSD11B2 P80365 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19971619 1.00 HSD11B1 (0.46) HSD11B1HPGDTFPI2PREPALDH1A1
SCHEMBL19971620 1.00 HSD11B1 (0.46) HSD11B1HPGDTFPI2PREPALDH1A1
SCHEMBL19971624 0.96 TFPI2 (0.46) HSD11B1HPGDTFPI2PREPALDH1A1
SCHEMBL19971622 0.96 TFPI2 (0.46) HSD11B1HPGDTFPI2PREPALDH1A1
SCHEMBL19971623 0.96 TFPI2 (0.46) HSD11B1HPGDTFPI2PREPALDH1A1
SCHEMBL3725686 0.78 HPGD (0.64) HSD11B1HPGDALDH1A1TSHRMEN1
SCHEMBL20585975 0.75 POLB (0.36) HSD11B1TFPI2ALDH1A1TSHRHSD11B2
SCHEMBL20585977 0.75 POLB (0.36) HSD11B1TFPI2ALDH1A1TSHRHSD11B2
SCHEMBL3106502 0.75 POLB (0.36) HSD11B1TFPI2ALDH1A1TSHRHSD11B2
SCHEMBL18036560 0.75 POLB (0.36) HSD11B1TFPI2ALDH1A1TSHRHSD11B2

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-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-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 (3 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 HSD11B1 552/4885HPGD 302/4885TFPI2 707/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP HSD11B1 552/4885HPGD 302/4885TFPI2 707/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP HSD11B1 552/4885HPGD 302/4885TFPI2 707/4885

“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.