Tert-Butanol

Tert-Butanol

SCHEMBL9101844

CC(C)(C)O.NOC(=O)c1ccc([N+](=O)[O-])cc1.[KH]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.50
CES1 P23141 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL402230 0.90 TSHR (0.62) TSHRMAPK1KMT2APOLBPKM
SCHEMBL4111621 0.84 POLB (0.63) TSHRMAPK1KMT2APOLBPKM
Sulfuric Acid SCHEMBL30951754 0.83 POLB (0.58) TSHRMAPK1KMT2APOLBPKM
Trifluoromethanesulfonic Acid SCHEMBL29284789 0.80 POLB (0.51) TSHRMAPK1KMT2APOLBPKM
SCHEMBL2616111 0.78 MAPK1 (0.56) TSHRMAPK1KMT2APOLBPKM
Methylamine SCHEMBL29169653 0.78 TSHR (0.60) TSHRMAPK1KMT2APOLBPKM
SCHEMBL7297660 0.77 TSHR (0.55) TSHRMAPK1KMT2APOLBPKM
SCHEMBL9987234 0.77 TDP1 (0.61) TSHRMAPK1KMT2APOLBPKM
SCHEMBL306161 0.75 POLB (0.81) TSHRMAPK1KMT2APOLBPKM
SCHEMBL254773 0.75 CES1 (0.65) TSHRMAPK1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459557-B1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-09-18 EP disclosed
US-8415336-B2 Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-04-09 US disclosed
US-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
EP-2459557-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-06-06 EP 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-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, ACE, PM20D2 TSHR 1527/4885MAPK1 3211/4885KMT2A 1515/4885

“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.