SCHEMBL3092243

SCHEMBL3092243

CCC(Cc1cccc(C(F)(F)F)c1)(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
ACP3 P15309 1/20 0.49
NR4A2 P43354 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
MAOB P27338 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL27926032 0.81 ACP3 (0.51) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL29010009 0.81 ACP3 (0.54) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL28245991 0.80 MEN1 (0.50) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL2166749 0.80 MAPT (0.50) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL2166746 0.80 MAPT (0.50) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL16892926 0.80 EPHX1 (0.56) EPHX1MEN1KMT2AMAPTACP3
Acetic Acid SCHEMBL3077099 0.79 ACP3 (0.56) EPHX1MEN1KMT2AMAPTACP3
SCHEMBL395522 0.78 SMN1; SMN2 (0.53) ALDH1A1TAAR1LMNA
SCHEMBL3092323 0.78 RIPK1 (0.50) MEN1KMT2AMAPTNR4A2ALDH1A1
SCHEMBL3096714 0.78 RIPK1 (0.50) MAPTALDH1A1MAOBTAAR1

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 EPHX1 2167/4885MEN1 2509/4885KMT2A 1948/4885

“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.