Bicarbonate

Bicarbonate

SCHEMBL4976269

Cc1nc2c(O)c(CCC(=O)c3ccccc3)c(C(=O)N(C)C)cn2c1C.O=C(O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
HSD11B1 P28845 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4994479 0.99 KMT2A (0.36) KMT2AGLAHSD11B1NPC1RAB9A
Formic Acid SCHEMBL4976263 0.95 HSD11B1 (0.34) KMT2AGLAHSD11B1NPC1RAB9A
Bicarbonate SCHEMBL5984921 0.89 GLA (0.37) KMT2AGLAHSD11B1NPC1RAB9A
SCHEMBL5327618 0.88 GLA (0.38) KMT2AGLAHSD11B1NPC1RAB9A
SCHEMBL5328510 0.88 CYP3A4 (0.36) KMT2AGLAHPGDCYP3A4CYP2C9
SCHEMBL5329533 0.84 CYP3A4 (0.36) KMT2AGLAHSD11B1NPC1RAB9A
SCHEMBL5330704 0.84 SMN1; SMN2 (0.43) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL5452650 0.83 CTNNB1 (0.38) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL5451120 0.81 PRKDC (0.34) NPC1RAB9ACYP3A4CYP2C9P2RX7
SCHEMBL4977432 0.81 PRKDC (0.34) NPC1RAB9ACYP3A4CYP2C9P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326784-B2 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2008-02-05 US disclosed
US-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2007-05-24 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 (1 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-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives CYP1A1, CYP3A4, CYP19A1 KMT2A 3507/4885GLA 1522/4885HSD11B1 721/4885

“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.