SCHEMBL16085830

SCHEMBL16085830

CN1C(CNc2ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc2)=CNc2nc(N)[nH]c(=O)c21.CN1C(CNc2ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc2)=CNc2nc(N)[nH]c(=O)c21.[Ca+2]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 1/20 0.51
▸ MTHFD1 P11586 3/20 0.55
▸ LMNA P02545 1/20 0.54
▸ DHFR P00374 4/20 0.51
▸ TYMS P04818 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SOST Q9BQB4 1/20 0.49
▸ FPGS Q05932 2/20 0.48
▸ MTHFD2 P13995 3/20 0.47
▸ ATIC P31939 3/20 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
SCHEMBL2166341 0.93 MTHFD1 (0.63) MTHFD1DHFRTYMSKDM4EMEN1
SCHEMBL17097094 0.93 MTHFD1 (0.63) MTHFD1DHFRTYMSKDM4EMEN1
Glutathione SCHEMBL16097636 0.87 MTHFD1 (0.45) MTHFD1LMNADHFRTYMSKDM4E
SCHEMBL26045339 0.82 TYMS (0.55) MTHFD1DHFRTYMSKDM4EMEN1
Levomefolic Acid SCHEMBL29979430 0.79 MTHFD1 (0.75) MTHFD1LMNADHFRTYMSSOST
Levomefolic Acid SCHEMBL692440 0.79 MTHFD1 (0.75) MTHFD1LMNADHFRTYMSSOST
Levomefolic Acid SCHEMBL29506219 0.79 MTHFD1 (0.75) MTHFD1LMNADHFRTYMSSOST
Levomefolic Acid SCHEMBL1883636 0.79 MTHFD1 (0.75) MTHFD1LMNADHFRTYMSSOST
Levomefolic Acid SCHEMBL30733832 0.79 MTHFD1 (0.75) MTHFD1LMNADHFRTYMSSOST
Levomefolic Acid SCHEMBL9487492 0.79 MTHFD1 (0.74) MTHFD1LMNADHFRTYMSSOST

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045440-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2016-02-18 — — US claimed
EP-2976066-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2016-01-27 — — EP claimed
WO-2014146975-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2014-09-25 — — WO claimed
EP-2781214-A1 Formulation of amorphous calcium L-5-methyltetrahydrofolate (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2014-09-24 — — EP claimed
WO-2024003061-A1 COMPOSITION FOR THE TREATMENT OF THE HUMAN PAPILLOMAVIRUS INFECTION (HPV) LO.LI. PHARMA S.R.L. (IT) 2024-01-04 — — WO disclosed
US-20230181475-A1 COMPOSITION COMPRISING METHYLFOLATE ALFASIGMA S.P.A. (IT) 2023-06-15 — — US disclosed
EP-4149437-A1 COMPOSITION COMPRISING METHYLFOLATE Alfasigma S.p.A. (IT) 2023-03-22 — — EP disclosed
CN-115605188-A Compositions comprising methylfolic acid 阿尔法西格玛有限公司(IT) 2023-01-13 — — CN disclosed
WO-2021228788-A1 COMPOSITION COMPRISING METHYLFOLATE ALFASIGMA S.P.A. (IT) 2021-11-18 — — WO disclosed
US-20160271155-A1 Vitamin Formulations NESTEC SA (CH) 2016-09-22 — — US disclosed
US-20160045440-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2016-02-18 — — US disclosed
US-20160045440-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2016-02-18 — — US disclosed
EP-2976066-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2016-01-27 — — EP disclosed
EP-2976066-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2016-01-27 — — EP disclosed
WO-2015077509-A1 VITAMIN FORMULATIONS NESTEC S.A. (CH) 2015-05-28 — — WO disclosed
WO-2014146975-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2014-09-25 — — WO disclosed
WO-2014146975-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) CHEMO RESEARCH, S.L. (ES) 2014-09-25 — — WO disclosed
EP-2781214-A1 Formulation of amorphous calcium L-5-methyltetrahydrofolate (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2014-09-24 — — EP disclosed
EP-2781214-A1 Formulation of amorphous calcium L-5-methyltetrahydrofolate (L-5-MTHF-Ca) Chemo Research, S.L. (ES) 2014-09-24 — — EP 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 (2 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-20160271155-A1 Vitamin Formulations CYP24A1, VDR, CYP2R1 PTGS2 1166/4885MTHFD1 683/4885LMNA 1479/4885
US-20160045440-A1 FORMULATION OF AMORPHOUS CALCIUM L-5-METHYLTETRAHYDROFOLATE (L-5-MTHF-Ca) MTHFD1, MTHFD2, DHFR PTGS2 1587/4885MTHFD1 1/4885LMNA 2350/4885

“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.

Send feedback