Sugi Predict

Sugi Predict / Compounds / SCHEMBL3787429

SCHEMBL3787429

SCHEMBL3787429

O=C(Oc1ccc(O)c(O)c1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ELANE P08246 2/20 0.51
▸ PDGFRB P09619 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ CA2 P00918 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL3782913 0.84 ATM (0.55) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL3788410 0.84 KMT2A (0.53) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL19000887 0.82 KMT2A (0.70) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL4544901 0.82 KMT2A (0.70) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL20045190 0.82 KMT2A (0.70) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL27694951 0.82 KMT2A (0.70) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11823665 0.82 KMT2A (0.83) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL3787430 0.82 ATM (0.52) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL15092194 0.80 POLB (0.84) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11829358 0.79 L3MBTL1 (0.75) ATMKMT2AHTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693701-B Modulators of ATP-binding cassette transporters 弗特克斯药品有限公司 2021-08-10 — — CN disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 — — US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 — — US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
CN-105693701-A MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS 弗特克斯药品有限公司 2016-06-22 — — CN disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 — — US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 — — US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 — — US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 — — US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 — — US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 — — US disclosed
US-8598181-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-03 — — US disclosed
CN-103254177-A Modulators of atp-binding cassette transporters VERTEX PHARMA 2013-08-21 — — CN disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 — — US disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — 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 (9 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-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885HTT 1077/4885

“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.