Formic Acid

Formic Acid

SCHEMBL1948929

Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C)ccn1.O=CO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.40
PROKR1 Q8TCW9 3/20 0.39
HSD11B1 P28845 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL7990635 0.96 L3MBTL1 (0.46) L3MBTL1GAAALDH1A1MAPTKDM4E
Formic Acid SCHEMBL1429563 0.86 ALDH1A1 (0.42) GAAALDH1A1MAPTKDM4ECNR1
Cnv2197944 SCHEMBL1429628 0.83 HSD11B1 (0.46) GAAALDH1A1HSD11B1HDAC3HDAC4
SCHEMBL12965681 0.82 ALDH1A1 (0.45) GAAALDH1A1MAPTKDM4ECNR1
SCHEMBL1429692 0.82 ALDH1A1 (0.45) GAAALDH1A1MAPTKDM4ECNR1
Formic Acid SCHEMBL1947596 0.82 GAA (0.49) L3MBTL1GAAALDH1A1KDM4EHSD11B1
SCHEMBL1949051 0.82 L3MBTL1 (0.64) L3MBTL1GAAALDH1A1MAPTKDM4E
SCHEMBL12539748 0.81 L3MBTL1 (0.40) L3MBTL1GAAALDH1A1PROKR1MEN1
SCHEMBL1945084 0.81 L3MBTL1 (0.44) L3MBTL1GAAPROKR1HSD11B1MEN1
SCHEMBL1429723 0.80 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1MAPTCNR1

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 L3MBTL1 4629/4885GAA 3695/4885ALDH1A1 4011/4885

“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.