Sugi Predict

Sugi Predict / Compounds / SCHEMBL3308114

SCHEMBL3308114

SCHEMBL3308114

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCCC(C)C)C(F)[C@](O)(F)C(F)(F)C1(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CDC25A P30304 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ HSPD1 P10809 1/20 0.59
▸ VDR P11473 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ GLRA1 P23415 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ HSPE1 P61604 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59

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
SCHEMBL3308113 1.00 MEN1 (0.59) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL4979145 0.85 CDC25A (0.60) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL4974568 0.79 VDR (0.70) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL8440710 0.78 ADORA3 (0.61) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL9330205 0.78 MAPT (0.71) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL3186509 0.78 MEN1 (0.69) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL4974563 0.78 MEN1 (0.68) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL6940534 0.77 VDR (0.70) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL15634065 0.77 ADORA3 (0.71) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL378182 0.76 MAPT (0.77) MEN1KMT2ACDC25AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3213767-B1 ANTIGEN-SPECIFIC INDUCTION OF TOLERANCE STALLERGENES (FR) 2022-07-20 — — EP claimed
EP-3213767-B1 ANTIGEN-SPECIFIC INDUCTION OF TOLERANCE STALLERGENES (FR) 2022-07-20 — — EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 — — US disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 — — US disclosed
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US disclosed
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2009-04-16 — — US disclosed
US-20080318911-A1 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2008-12-25 — — US disclosed
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 — — US disclosed
US-20070054887-A1 Methods for treating bladder dysfunction BIOXELL S.P.A (IT) 2007-03-08 — — US disclosed
EP-1095017-A1 24,24-DIFLUORINATED ANALOGS OF 1-ALPHA,25-DIHYDROXY VITAMIN D3 Johns Hopkins University (US) 2001-05-02 — — EP disclosed
WO-1999062876-A9 24,24-DIFLUORINATED ANALOGS OF 1-ALPHA,25-DIHYDROXY VITAMIN D3 UNIV JOHNS HOPKINS (US) 2000-10-26 — — WO disclosed
WO-1999062876-A1 24,24-DIFLUORINATED ANALOGS OF 1-ALPHA,25-DIHYDROXY VITAMIN D3 JOHNS HOPKINS UNIVERSITY (US) 1999-12-09 — — WO disclosed
EP-0874813-A1 24-HOMO-26,27-HEXAFLUORO-CHOLECALCIFEROLS F. HOFFMANN-LA ROCHE AG (CH) 1998-11-04 — — EP disclosed
WO-1997016423-A1 24-HOMO-26,27-HEXAFLUORO-CHOLECALCIFEROLS F.HOFFMANN-LA ROCHE AG (CH) 1997-05-09 — — WO disclosed
EP-0205025-A1 Fluorine derivatives of vitamin D3 and cell differentiation-inducing agents containing the same as an active ingredient SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-12-17 — — EP disclosed
US-4613594-A Fluorinated vitamin D3 compounds HOFFMANN-LA ROCHE INC. (US) 1986-09-23 — — US disclosed
US-4613594-A Fluorinated vitamin D3 compounds HOFFMANN-LA ROCHE INC. (US) 1986-09-23 — — 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 (7 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 MEN1 3678/4885KMT2A 2963/4885CDC25A 4765/4885
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 MEN1 1537/4885KMT2A 3441/4885CDC25A 110/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 MEN1 3678/4885KMT2A 2963/4885CDC25A 4765/4885
US-20070054887-A1 Methods for treating bladder dysfunction CYP27B1, CYP24A1, VDR MEN1 3462/4885KMT2A 4065/4885CDC25A 3163/4885
US-20080318911-A1 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof CYP2R1, CYP24A1, VDR MEN1 4100/4885KMT2A 4046/4885CDC25A 2967/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 MEN1 3743/4885KMT2A 4121/4885CDC25A 1883/4885
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof VDR, CYP24A1, CYP2R1 MEN1 571/4885KMT2A 3532/4885CDC25A 2950/4885

“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.