SCHEMBL5186203

SCHEMBL5186203

CC(C)(C)CC(C)(C)c1cc(/N=N/c2cc(S(=O)(=O)O)ccc2Cl)c(O)c(C(C)(C)c2ccccc2)c1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ TDP1 Q9NUW8 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL5186210 1.00 PTPN11 (0.36) PTPN11P2RX3TDP1MEN1KMT2A
SCHEMBL5184472 0.99 PTPN11 (0.37) PTPN11P2RX3TDP1MEN1KMT2A
SCHEMBL5184478 0.99 PTPN11 (0.37) PTPN11P2RX3TDP1MEN1KMT2A
SCHEMBL5186206 0.90 THRB (0.34) PTPN11MEN1KMT2ATHRBPOLB
SCHEMBL5185046 0.84 APEX1 (0.37) PTPN11MEN1KMT2AALDH1A1THRB
SCHEMBL5185043 0.84 APEX1 (0.37) PTPN11MEN1KMT2AALDH1A1THRB
SCHEMBL5185545 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5185548 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5186138 0.84 MEN1 (0.39) TDP1MEN1KMT2AALDH1A1THRB
SCHEMBL5186132 0.84 MEN1 (0.39) TDP1MEN1KMT2AALDH1A1THRB

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
EP-1339700-B1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SC HOLDING AG (CH) 2007-11-21 — — EP disclosed
US-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 — — US disclosed
US-20040019220-A1 Process for the preparation of benzotriazoles CIBA SPECIALTY CHEMICALS CORP. 2004-01-29 — — US disclosed
EP-1339700-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES Ciba SC Holding AG (CH) 2003-09-03 — — EP disclosed
WO-2002024668-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 — — 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 (2 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-20070208165-A1 Process for the preparation of benzotriazoles CBR1, CCNT1, CYP1B1 PTPN11 490/4885P2RX3 1121/4885TDP1 1097/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 PTPN11 745/4885P2RX3 1442/4885TDP1 1284/4885

“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.

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