SCHEMBL19971698

SCHEMBL19971698

COC(=O)C1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 10/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.49
EP300 Q09472 1/20 0.46

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
SCHEMBL19971697 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL18517357 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL796210 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL19971631 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1010004 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL796601 0.82 KMT2A (0.62) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL796602 0.82 KMT2A (0.62) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL796603 0.82 KMT2A (0.62) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL8919811 0.82 KMT2A (0.62) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL20844347 0.82 KMT2A (0.54) MEN1KMT2AALDH1A1TSHRSMN1; SMN2

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-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 MEN1 338/4885KMT2A 1929/4885ALDH1A1 402/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP MEN1 338/4885KMT2A 1929/4885ALDH1A1 402/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP MEN1 338/4885KMT2A 1929/4885ALDH1A1 402/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP MEN1 338/4885KMT2A 1929/4885ALDH1A1 402/4885

“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.