SCHEMBL1622201

SCHEMBL1622201

CC(O)c1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
EGFR P00533 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CB P42338 2/20 0.43
HTR6 P50406 1/20 0.42
NAMPT P43490 1/20 0.41
HSD17B2 P37059 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL1621978 0.82 PIK3CB (0.60) SLC22A12EGFRPIK3CBNAMPTMEN1
SCHEMBL381261 0.79 MEN1 (0.60) SLC22A12EGFRHSD17B2MEN1ALDH1A1
SCHEMBL791411 0.79 SLC22A12 (0.60) SLC22A12EGFRSMN1; SMN2PIK3CBHTR6
SCHEMBL3119732 0.72 SLC22A12 (0.46) SLC22A12EGFRSMN1; SMN2PIK3CBMEN1
SCHEMBL22914715 0.70 MEN1 (0.56) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL856308 0.70 PIK3CB (0.54) SLC22A12PIK3CBNAMPTPTGS1PTGS2
SCHEMBL18702879 0.68 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL783480 0.68 CYP11B2 (0.41) SMN1; SMN2MEN1ALDH1A1LMNATP53
SCHEMBL3472642 0.68 CYP11B2 (0.41) SMN1; SMN2MEN1ALDH1A1LMNATP53
SCHEMBL3511669 0.68 CYP11B2 (0.41) SMN1; SMN2MEN1ALDH1A1LMNATP53

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-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B SLC22A12 4255/4885EGFR 475/4885SMN1; SMN2 3542/4885

“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.