SCHEMBL18505995

SCHEMBL18505995

O=C(OC1CNC1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL22080031 0.93 TP53 (0.42) TSHRSMN1; SMN2USP2RECQLTP53
Hydrochloric Acid SCHEMBL22032094 0.92 TP53 (0.41) TSHRSMN1; SMN2USP2RECQLTP53
Trifluoroacetic Acid SCHEMBL18497460 0.89 SMN1; SMN2 (0.41) TSHRSMN1; SMN2USP2RECQLTP53
Trifluoroacetic Acid SCHEMBL23111956 0.89 SMN1; SMN2 (0.41) TSHRSMN1; SMN2USP2RECQLTP53
SCHEMBL9363422 0.84 TPSAB1 (0.41) TSHRSMN1; SMN2USP2RECQLTP53
SCHEMBL8266944 0.82 TSHR (0.55) TSHRSMN1; SMN2USP2RECQLTP53
SCHEMBL4879948 0.82 HSD11B1 (0.46) MMP1POLB
SCHEMBL8909335 0.82 TPSAB1 (0.48) TSHRSMN1; SMN2USP2RECQLTP53
SCHEMBL31758198 0.82 TP53 (0.41) TSHRSMN1; SMN2USP2RECQLTP53
SCHEMBL17479093 0.81 TPSAB1 (0.44) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 EP disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 US disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 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 (8 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-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 TSHR 4113/4885SMN1; SMN2 2280/4885USP2 390/4885
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 TSHR 4113/4885SMN1; SMN2 2280/4885USP2 390/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 TSHR 4113/4885SMN1; SMN2 2280/4885USP2 390/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 TSHR 4113/4885SMN1; SMN2 2280/4885USP2 390/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885USP2 893/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885USP2 893/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 TSHR 4113/4885SMN1; SMN2 2280/4885USP2 390/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TSHR 4426/4885SMN1; SMN2 1771/4885USP2 893/4885

“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.