Tromethamine

Tromethamine

SCHEMBL4837602

NC(CO)(CO)CO.O=C(O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA

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

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
RORC P51449 8/20 0.41
MMP8 P22894 6/20 0.40
MMP3 P08254 3/20 0.40
TRPA1 O75762 1/20 0.39
S1PR5 Q9H228 1/20 0.37
USP5 P45974 1/20 0.37

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
SCHEMBL4842623 0.95 BACE1 (0.47) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4842475 0.95 BACE1 (0.47) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4834178 0.95 BACE1 (0.47) BACE1RORCMMP8MMP3TRPA1
Potassium SCHEMBL4841487 0.94 BACE1 (0.46) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4834162 0.94 BACE1 (0.46) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4841476 0.94 BACE1 (0.46) BACE1RORCMMP8MMP3TRPA1
Diethanolamine SCHEMBL4841112 0.91 RORC (0.44) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4842113 0.90 RORC (0.44) BACE1RORCMMP8MMP3TRPA1
Potassium Ion SCHEMBL4841481 0.90 BACE1 (0.47) BACE1RORCMMP8MMP3TRPA1
SCHEMBL4834165 0.90 BACE1 (0.47) BACE1RORCMMP8MMP3TRPA1

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 BACE1 94/4885RORC 1777/4885MMP8 3968/4885

“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.