Formic Acid

Formic Acid

SCHEMBL1947596

C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccccn1.O=CO

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
GRM4 Q14833 3/20 0.45
HSD11B1 P28845 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
SMO Q99835 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL7996119 0.96 GAA (0.53) GAAGRM4HSD11B1SMN1; SMN2SMO
Cnv2197944 SCHEMBL1429628 0.86 HSD11B1 (0.46) GAAHSD11B1ALDH1A1TRPV1HDAC3
SCHEMBL1946173 0.83 GAA (0.53) GAAGRM4SMN1; SMN2HTTL3MBTL1
SCHEMBL1946390 0.82 ALDH1A1 (0.42) GAAHSD11B1HTTL3MBTL1KDM4E
Cnv2197944 SCHEMBL12965609 0.82 HSD11B1 (0.48) GAAHSD11B1ALDH1A1TRPV1
Cnv2197944 SCHEMBL1429576 0.82 HSD11B1 (0.48) GAAHSD11B1ALDH1A1TRPV1
Cnv2197944 SCHEMBL18652790 0.82 HSD11B1 (0.48) GAAHSD11B1ALDH1A1TRPV1
Formic Acid SCHEMBL1948929 0.82 L3MBTL1 (0.43) GAAHSD11B1SMOHTTL3MBTL1
Cnv2197944 SCHEMBL1429858 0.81 HSD11B1 (0.48) GAAHSD11B1ALDH1A1TRPV1
SCHEMBL7997766 0.81 HSD11B1 (0.48) GAAHSD11B1ALDH1A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 EP disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 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 (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-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 GAA 3695/4885GRM4 721/4885HSD11B1 4820/4885

“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.